N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide
TL;DR: N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide (CAS 393564-95-9) is a chemical compound with molecular formula C9H15N3OS2 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
Also Known As: IFLab1_001971, N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide, VU0421104-2, 2-methyl-N-[5-(propan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide, F0509-0197
| Molecular Formula | C9H15N3OS2 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 2.6331 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.06566 |
| Heavy Atoms | 15 |
| Complexity | 335.85336 |
Chemical Identifiers
| CAS Number | 393564-95-9 |
|---|---|
| SMILES | CC(C)C(=O)NC1=NN=C(S1)SC(C)C |
Product Overview
N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide (CAS 393564-95-9), with molecular formula C9H15N3OS2 and molecular weight 245.07 g/mol. IUPAC: 2-methyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide.
Chemical Property Profile of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide
Property Insights of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide
The XLogP value of 2.6331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide 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-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The CAS number of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide is 393564-95-9.
What is the molecular formula of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The molecular formula of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide is C9H15N3OS2.
What is the molecular weight of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide?
The molecular weight of N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide is 245.07 g/mol.
Where can I buy N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide?
You can request a quote for N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(isopropylthio)-1,3,4-thiadiazol-2-yl)isobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.