N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide
TL;DR: N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide (CAS 7501-18-0) is a chemical compound with molecular formula C8H13N5O2S and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide
Also Known As: N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide, 1,2,5-Thiadiazole, 3-(n-butylcarbamoyl)-4-ureido-
| Molecular Formula | C8H13N5O2S |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.079 |
| Heavy Atoms | 16 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 7501-18-0 |
|---|---|
| SMILES | CCCCNC(=O)C1=NSN=C1NC(=O)N |
| InChIKey | IADZSJMFQQNWDQ-UHFFFAOYSA-N |
Product Overview
N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide (CAS 7501-18-0), with molecular formula C8H13N5O2S and molecular weight 243.08 g/mol. IUPAC: N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide.
Chemical Property Profile of N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide
Property Insights of N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide. Following Lipinski's Rule of Five, N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide has 3 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-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide?
The CAS number of N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide is 7501-18-0.
What is the molecular formula of N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide?
The molecular formula of N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide is C8H13N5O2S.
What is the molecular weight of N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide?
The molecular weight of N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide is 243.08 g/mol.
Where can I buy N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide?
You can request a quote for N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.