2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole
TL;DR: 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole (CAS 177952-39-5) is a chemical compound with molecular formula C10H11N3O2S and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
Also Known As: 5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine, 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole, 5-(3,4-Dimethoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine, 5-(3,4-Dimethoxy-phenyl)-[1,3,4]thiadiazol-2-yl-amine, 2,4-Bis(trifluoromethyl)phenylacetic acid
| Molecular Formula | C10H11N3O2S |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.0572 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 177952-39-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(S2)N)OC |
| InChIKey | BQOCMHOWHOMIMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole (CAS 177952-39-5), with molecular formula C10H11N3O2S and molecular weight 237.06 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole
Property Insights of 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole has 1 hydrogen bond donor(s) and 6 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 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole?
The CAS number of 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole is 177952-39-5.
What is the molecular formula of 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole?
The molecular formula of 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole is C10H11N3O2S.
What is the molecular weight of 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole?
The molecular weight of 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole is 237.06 g/mol.
Where can I buy 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole?
You can request a quote for 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.