Research chemical
N-isopropyl-2-((5-(4-(2-phenylbutanoyl)piperazin-1-yl)-1,3,4-thiadiazol-2-yl)thio)acetamide
CAS Number: 1105227-29-9
Product details
Identity & specification
- Molecular formula
- C21H29N5O2S2
- Molecular weight
- 447.6 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
44069679
Exact Mass
447.176268
InChIKey
ZNLNZQOKGPDFEY-UHFFFAOYSA-N
IUPAC Name
2-[[5-[4-(2-phenylbutanoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILES String
CCC(C(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1)c1ccccc1
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
30
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
8
Ring count
3
Aromatic rings
2
Topological polar surface area
78.43 Ų
Computed LogP
3
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-isopropyl-2-((5-(4-(2-phenylbutanoyl)piperazin-1-yl)-1,3,4-thiadiazol-2-yl)thio)acetamide (CAS 1105227-29-9) is maintained as a cataloged research chemical with formula C21H29N5O2S2, molecular weight 447. 60 g/mol, PubChem CID 44069679.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
Applications & Classification
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.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog 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.
Procurement questions
What are the key identifiers for N-isopropyl-2-((5-(4-(2-phenylbutanoyl)piperazin-1-yl)-1,3,4-thiadiazol-2-yl)thio)acetamide (CAS 1105227-29-9)?
N-isopropyl-2-((5-(4-(2-phenylbutanoyl)piperazin-1-yl)-1,3,4-thiadiazol-2-yl)thio)acetamide is identified by CAS 1105227-29-9, with molecular formula C21H29N5O2S2, molecular weight 447.6, InChIKey ZNLNZQOKGPDFEY-UHFFFAOYSA-N.
Can I request a COA for CAS 1105227-29-9?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for N-isopropyl-2-((5-(4-(2-phenylbutanoyl)piperazin-1-yl)-1,3,4-thiadiazol-2-yl)thio)acetamide?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1105227-29-9 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.