N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide
TL;DR: N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide (CAS 92847-01-3) is a chemical compound with molecular formula C11H11N5O2S and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide
Also Known As: N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide, 4-ureido-[1,2,5]thiadiazole-3-carboxylic acid benzylamide, N-Benzyl-4-{[hydroxy(imino)methyl]imino}-4,5-dihydro-1,2,5-thiadiazole-3-carboximidic acid
| Molecular Formula | C11H11N5O2S |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.06335 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 92847-01-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=NSN=C2NC(=O)N |
| InChIKey | FLQVGOWEJVQXQP-UHFFFAOYSA-N |
Product Overview
N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide (CAS 92847-01-3), with molecular formula C11H11N5O2S and molecular weight 277.06 g/mol. IUPAC: N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide.
Chemical Property Profile of N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide
Property Insights of N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-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-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide. Following Lipinski's Rule of Five, N-benzyl-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-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide?
The CAS number of N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide is 92847-01-3.
What is the molecular formula of N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide?
The molecular formula of N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide is C11H11N5O2S.
What is the molecular weight of N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide?
The molecular weight of N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide is 277.06 g/mol.
Where can I buy N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide?
You can request a quote for N-benzyl-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-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-4-(carbamoylamino)-1,2,5-thiadiazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.