5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine
TL;DR: 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine (CAS 448914-54-3) is a chemical compound with molecular formula C12H13N3S and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
Also Known As: BAS 04914389, AJ-292/41302831, N-allyl-5-(p-tolyl)-1,3,4-thiadiazol-2-amine, 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine, Allyl-(5-p-tolyl-[1,3,4]thiadiazol-2-yl)-amine
| Molecular Formula | C12H13N3S |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 3.11142 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08302 |
| Heavy Atoms | 16 |
| Complexity | 473.26404 |
Chemical Identifiers
| CAS Number | 448914-54-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(S2)NCC=C |
Product Overview
5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine (CAS 448914-54-3), with molecular formula C12H13N3S and molecular weight 231.08 g/mol. IUPAC: 5-(4-methylphenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine
Property Insights of 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine
The XLogP value of 3.11142 indicates that 5-(4-methylphenyl)-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. With a topological polar surface area (TPSA) of 37.81 Ų, 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-methylphenyl)-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-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine?
The CAS number of 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine is 448914-54-3.
What is the molecular formula of 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine is C12H13N3S.
What is the molecular weight of 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine is 231.08 g/mol.
Where can I buy 5-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-(4-methylphenyl)-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-(4-methylphenyl)-N-(prop-2-en-1-yl)-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylphenyl)-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.