N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide
TL;DR: N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide (CAS 7501-19-1) is a chemical compound with molecular formula C18H18N6OS and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-[(N'-benzylcarbamimidoyl)amino]-1,2,5-thiadiazole-3-carboxamide
Also Known As: N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide, N-benzyl-4-[(N'-benzylcarbamimidoyl)amino]-1,2,5-thiadiazole-3-carboxamide, N-benzyl-4-[(N'-benzylcarbamimidoyl)amino]-1,2,5-thiadiazole, N-BENZYL-4-[(N-BENZYLCARBAMIMIDOYL)AMINO]-1,2,5-THIADIAZOLE-3-CARBOXAMIDE
| Molecular Formula | C18H18N6OS |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.12628 |
| Heavy Atoms | 26 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 7501-19-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=NSN=C2NC(=NCC3=CC=CC=C3)N |
| InChIKey | QMWOWNYYTMBBER-UHFFFAOYSA-N |
Product Overview
N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide (CAS 7501-19-1), with molecular formula C18H18N6OS and molecular weight 366.13 g/mol. IUPAC: N-benzyl-4-[(N'-benzylcarbamimidoyl)amino]-1,2,5-thiadiazole-3-carboxamide.
Chemical Property Profile of N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide
Property Insights of N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide. Following Lipinski's Rule of Five, N-Benzyl-4-(N''-benzylcarbamimidamido)-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-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide?
The CAS number of N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide is 7501-19-1.
What is the molecular formula of N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide?
The molecular formula of N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide is C18H18N6OS.
What is the molecular weight of N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide?
The molecular weight of N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide is 366.13 g/mol.
Where can I buy N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide?
You can request a quote for N-Benzyl-4-(N''-benzylcarbamimidamido)-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-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-4-(N''-benzylcarbamimidamido)-1,2,5-thiadiazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.