N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
TL;DR: N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide (CAS 393565-17-8) is a chemical compound with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
Also Known As: IFLab1_002059, N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide, F0509-0338, N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide, N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
| Molecular Formula | C14H17N3OS2 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.815 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.0813 |
| Heavy Atoms | 20 |
| Complexity | 554.55646 |
Chemical Identifiers
| CAS Number | 393565-17-8 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2 |
Product Overview
N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide (CAS 393565-17-8), with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol. IUPAC: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methylbutanamide.
Chemical Property Profile of N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
Property Insights of N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
The XLogP value of 3.815 indicates that N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide 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-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide?
The CAS number of N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide is 393565-17-8.
What is the molecular formula of N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide?
The molecular formula of N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide is C14H17N3OS2.
What is the molecular weight of N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide?
The molecular weight of N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide is 307.08 g/mol.
Where can I buy N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide?
You can request a quote for N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.