N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 600640-92-4) is a chemical compound with molecular formula C18H12ClN3OS2 and molecular weight 385.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: BAS 06980931, N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide, Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]- (9CI), (3-chlorobenzo[b]thiophen-2-yl)-N-[5-benzyl(1,3,4-thiadiazol-2-yl)]carboxamide, benzo[b]thiophene-2-carboxamide,3-chloro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-
| Molecular Formula | C18H12ClN3OS2 |
|---|---|
| Molecular Weight | 385.01 g/mol |
| LogP | 5.2493 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.01102 |
| Heavy Atoms | 25 |
| Complexity | 1042.8596 |
Chemical Identifiers
| CAS Number | 600640-92-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 600640-92-4), with molecular formula C18H12ClN3OS2 and molecular weight 385.01 g/mol. IUPAC: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 5.2493 indicates that N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide is 600640-92-4.
What is the molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide is C18H12ClN3OS2.
What is the molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide is 385.01 g/mol.
Where can I buy N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.