Research chemical
CAS Number: 392319-37-8
![3,4,5-triethoxy-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide molecular structure, CAS 392319-37-8](/structure-images/392319-37-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3551399
Exact Mass
524.097031
InChIKey
MLRNEJVIRNKNLX-UHFFFAOYSA-N
SMILES String
CCOc1cc(C(=O)Nc2nnc(SCC(=O)Nc3nnc(C)s3)s2)cc(OCC)c1OCC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
3,4,5-triethoxy-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide is identified by CAS 392319-37-8, with molecular formula C20H24N6O5S3, molecular weight 524.6, InChIKey MLRNEJVIRNKNLX-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
34
H-bond acceptors
11
H-bond donors
2
Rotatable bonds
12
Ring count
3
Aromatic rings
3
Topological polar surface area
137.45 Ų
Computed LogP
3.88
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.
Structural features
3,4,5-triethoxy-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide (CAS 392319-37-8) is maintained as a commercial cas reference with formula C20H24N6O5S3, molecular weight 524. 60 g/mol, PubChem CID 3551399.
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.