5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine
TL;DR: 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine (CAS 18390-22-2) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
Also Known As: 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine, BAS 04914431, 2-allylamino-5-phenyl-1,3,4-thiadiazole, 5-phenyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine, N-allyl-5-phenyl-1,3,4-thiadiazol-2-amine
| Molecular Formula | C11H11N3S |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.06737 |
| Heavy Atoms | 15 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 18390-22-2 |
|---|---|
| SMILES | C=CCNC1=NN=C(S1)C2=CC=CC=C2 |
| InChIKey | OBNAYOHLVBJTGI-UHFFFAOYSA-N |
Product Overview
5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine (CAS 18390-22-2), with molecular formula C11H11N3S and molecular weight 217.07 g/mol. IUPAC: 5-phenyl-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine
Property Insights of 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine
The XLogP value of 3.0 indicates that 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine has 1 hydrogen bond donor(s) and 4 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-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine?
The CAS number of 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine is 18390-22-2.
What is the molecular formula of 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine is C11H11N3S.
What is the molecular weight of 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine is 217.07 g/mol.
Where can I buy 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-phenyl-N-(prop-2-en-1-yl)-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-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-phenyl-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.