![methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate structure](/static/products/5691/56910-46-4.webp)
methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
TL;DR: methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate (CAS 56910-46-4) is a chemical compound with molecular formula C9H10N6O4S and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
Also Known As: methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate, Methyl {5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl}carbamate
| Molecular Formula | C9H10N6O4S |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.04843 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 56910-46-4 |
|---|---|
| SMILES | CC1=NC=C(N1CC2=NN=C(S2)NC(=O)OC)[N+](=O)[O-] |
| InChIKey | OQGBEKGMCZEAEP-UHFFFAOYSA-N |
Product Overview
methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate (CAS 56910-46-4), with molecular formula C9H10N6O4S and molecular weight 298.05 g/mol. IUPAC: methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate.
Chemical Property Profile of methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
Property Insights of methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate. The TPSA of 156.0 Ų indicates high polarity, suggesting methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate has 1 hydrogen bond donor(s) and 8 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 methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate?
The CAS number of methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate is 56910-46-4.
What is the molecular formula of methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate?
The molecular formula of methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate is C9H10N6O4S.
What is the molecular weight of methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate?
The molecular weight of methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate is 298.05 g/mol.
Where can I buy methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate?
You can request a quote for methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-[5-[(2-methyl-5-nitroimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.