![5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine structure](/static/products/1009/100987-89-1.webp)
5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine
TL;DR: 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine (CAS 100987-89-1) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
Also Known As: 5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-amine, 4-bromo-n-(4-bromophenyl)benzamide, 5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine, 5-[4-(propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine, 1,3,4-Thiadiazol-2-amine, 5-[4-(1-methylethyl)phenyl]-
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.9107 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 445.1115 |
Chemical Identifiers
| CAS Number | 100987-89-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2=NN=C(S2)N |
Product Overview
5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine (CAS 100987-89-1), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: 5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine
Property Insights of 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine
The XLogP value of 2.9107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine. With a topological polar surface area (TPSA) of 51.8 Ų, 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-(Propan-2-yl)phenyl]-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-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The CAS number of 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine is 100987-89-1.
What is the molecular formula of 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine is C11H13N3S.
What is the molecular weight of 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine is 219.08 g/mol.
Where can I buy 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-[4-(Propan-2-yl)phenyl]-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-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(Propan-2-yl)phenyl]-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.