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5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
TL;DR: 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CAS 39181-55-0) is a chemical compound with molecular formula C9H8FN3S and molecular weight 209.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
Also Known As: 5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-amine, 5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine, 2-AMINO-5-(4-FLUOROBENZYL)-1,3,4-THIADIAZOLE, 1,3,4-Thiadiazol-2-amine, 5-[(4-fluorophenyl)methyl]-, 5-(4-fluorobenzyl)-1,3,4-thiadiazol-2-ylamine
| Molecular Formula | C9H8FN3S |
|---|---|
| Molecular Weight | 209.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.0423 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 39181-55-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=NN=C(S2)N)F |
| InChIKey | XHFWYSOJZBOIDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CAS 39181-55-0), with molecular formula C9H8FN3S and molecular weight 209.04 g/mol. IUPAC: 5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
Property Insights of 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine 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 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The CAS number of 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is 39181-55-0.
What is the molecular formula of 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is C9H8FN3S.
What is the molecular weight of 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine is 209.04 g/mol.
Where can I buy 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.