2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide
TL;DR: 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide (CAS 391864-30-5) is a chemical compound with molecular formula C8H12ClN3OS and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
Also Known As: 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide, 2-chloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide, AB00667944-01, F0453-0322, 2-chloro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
| Molecular Formula | C8H12ClN3OS |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 2.2273 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.03896 |
| Heavy Atoms | 14 |
| Complexity | 324.14124 |
Chemical Identifiers
| CAS Number | 391864-30-5 |
|---|---|
| SMILES | CC(C)C1=NN=C(S1)NC(=O)C(C)Cl |
Product Overview
2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide (CAS 391864-30-5), with molecular formula C8H12ClN3OS and molecular weight 233.04 g/mol. IUPAC: 2-chloro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.
Chemical Property Profile of 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide
Property Insights of 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide
The XLogP value of 2.2273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide. With a topological polar surface area (TPSA) of 54.88 Ų, 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide has 1 hydrogen bond donor(s) and 4 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 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The CAS number of 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide is 391864-30-5.
What is the molecular formula of 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The molecular formula of 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide is C8H12ClN3OS.
What is the molecular weight of 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide?
The molecular weight of 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide is 233.04 g/mol.
Where can I buy 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide?
You can request a quote for 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.