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Research chemical

N-(benzo[d]thiazol-2-yl)-2-((4-(3-chlorophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide

CAS Number: 391950-49-5

Chemical structure
N-(benzo[d]thiazol-2-yl)-2-((4-(3-chlorophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide molecular structure, CAS 391950-49-5

Product details

Identity & specification

Molecular formula
C26H21ClN6O3S2
Molecular weight
565.1 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

5220581

Exact Mass

564.080509

InChIKey

KTEDRSTUEOIWNE-UHFFFAOYSA-N

IUPAC Name

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

SMILES String

O=C(COc1ccccc1)NCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1-c1cccc(Cl)c1

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

38

H-bond acceptors

9

H-bond donors

2

Rotatable bonds

10

Ring count

5

Aromatic rings

5

Topological polar surface area

111.03 Ų

Computed LogP

4.96

Fragment-like structure rule

No

Lead-like structure rule

No

Drug-like structure rule

Yes

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-(benzo[d]thiazol-2-yl)-2-((4-(3-chlorophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 391950-49-5) is maintained as a commercial cas reference with formula C26H21ClN6O3S2, molecular weight 565. 10 g/mol, PubChem CID 5220581.

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, drug-like rule profile.

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-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-3-methoxybenzamideView related compound →Structure similarity6-((2-((5-chloro-2-methoxyphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamideView related compound →Structure similarityN-((5-((2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamideView related compound →Structure similarityN-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamideView related compound →Structure similarityN-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,4,5-trimethoxybenzamideView related compound →

Procurement questions

What are the key identifiers for N-(benzo[d]thiazol-2-yl)-2-((4-(3-chlorophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 391950-49-5)?

N-(benzo[d]thiazol-2-yl)-2-((4-(3-chlorophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is identified by CAS 391950-49-5, with molecular formula C26H21ClN6O3S2, molecular weight 565.1, InChIKey KTEDRSTUEOIWNE-UHFFFAOYSA-N.

Can I request a COA for CAS 391950-49-5?

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

Can I request supplier SDS for N-(benzo[d]thiazol-2-yl)-2-((4-(3-chlorophenyl)-5-((2-phenoxyacetamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?

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

Is CAS 391950-49-5 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.