Research chemical
CAS Number: 391868-86-3
![N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide molecular structure, CAS 391868-86-3](/structure-images/391868-86-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4184393
Exact Mass
498.027238
InChIKey
KAZONVZVCQLZMU-UHFFFAOYSA-N
SMILES String
CCSc1nnc(NC(=O)CSc2nnc(NC(=O)c3c(OC)cccc3OC)s2)s1
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.
N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide is identified by CAS 391868-86-3, with molecular formula C17H18N6O4S4, molecular weight 498.6, InChIKey KAZONVZVCQLZMU-UHFFFAOYSA-N.
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Heavy atom count
31
H-bond acceptors
10
H-bond donors
2
Rotatable bonds
10
Ring count
3
Aromatic rings
3
Topological polar surface area
128.22 Ų
Computed LogP
3.5
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.
Structural features
N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide (CAS 391868-86-3) is maintained as a commercial cas reference with formula C17H18N6O4S4, molecular weight 498.
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.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.