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Research chemical

N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl)-3,4,5-trimethoxybenzamide

CAS Number: 394226-97-2

Chemical structure
N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl)-3,4,5-trimethoxybenzamide molecular structure, CAS 394226-97-2

Product details

Identity & specification

Molecular formula
C30H30N6O5S2
Molecular weight
618.7 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

4230338

Exact Mass

618.17191

InChIKey

AUMJLQOXOZWWQB-UHFFFAOYSA-N

IUPAC Name

N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2,3-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-3,4,5-trimethoxybenzamide

SMILES String

COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2-c2cccc(C)c2C)cc(OC)c1OC

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

43

H-bond acceptors

11

H-bond donors

2

Rotatable bonds

11

Ring count

5

Aromatic rings

5

Topological polar surface area

129.49 Ų

Computed LogP

5.18

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

No

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl)-3,4,5-trimethoxybenzamide (CAS 394226-97-2) is maintained as a commercial cas reference with formula C30H30N6O5S2, molecular weight 618.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

Review supplier documentation before handling; for research use only.

Applications & Classification

Commercial Research ChemicalsHeterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Catalog navigation

Related Catalog Entries

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarityN-((5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamideView related compound →Structure similarityDiethyl 3-methyl-5-[2-[[4-methyl-5-[[(4-methyl-3-nitrobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-2,4-dicarboxylateView related compound →Structure similarityN-[[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonylbenzamideView related compound →Structure similarity4-(N,N-dimethylsulfamoyl)-N-((5-((2-((5-(ethylthio)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamideView related compound →Structure similarityN-((5-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(pyrrolidin-1-ylsulfonyl)benzamideView related compound →

Procurement questions

What are the key identifiers for N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl)-3,4,5-trimethoxybenzamide (CAS 394226-97-2)?

N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl)-3,4,5-trimethoxybenzamide is identified by CAS 394226-97-2, with molecular formula C30H30N6O5S2, molecular weight 618.7, InChIKey AUMJLQOXOZWWQB-UHFFFAOYSA-N.

Can I request a COA for CAS 394226-97-2?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl)-3,4,5-trimethoxybenzamide?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 394226-97-2 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.