![N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester structure](/static/products/714/714916-25-3.png)
N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
TL;DR: N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester (CAS 714916-25-3) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(5-benzyl-1,3,4-thiadiazol-2-yl)carbamate
Also Known As: methyl N-(5-benzyl-1,3,4-thiadiazol-2-yl)carbamate, methyl (5-benzyl-1,3,4-thiadiazol-2-yl)carbamate, N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester, methyl N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamate, N-(5-benzyl-1,3,4-thiadiazol-2-yl)carbamic acid methyl ester
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.3072 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 498.42746 |
Chemical Identifiers
| CAS Number | 714916-25-3 |
|---|---|
| SMILES | COC(=O)NC1=NN=C(S1)CC2=CC=CC=C2 |
Product Overview
N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester (CAS 714916-25-3), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: methyl N-(5-benzyl-1,3,4-thiadiazol-2-yl)carbamate.
Chemical Property Profile of N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
Property Insights of N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
The XLogP value of 2.3072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester. Following Lipinski's Rule of Five, N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester has 1 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-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester?
The CAS number of N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester is 714916-25-3.
What is the molecular formula of N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester?
The molecular formula of N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester is C11H11N3O2S.
What is the molecular weight of N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester?
The molecular weight of N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester is 249.06 g/mol.
Where can I buy N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester?
You can request a quote for N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.