![1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone structure](/static/products/2122/21224-54-4.webp)
1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
TL;DR: 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone (CAS 21224-54-4) is a chemical compound with molecular formula C9H12N2OS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-methyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]ethanone
Also Known As: 1-[2-(allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone, KST-1B1673, 1-(2-allylamino-4-methylthiazol-5-yl)ethanone, Ketone, 2-(allylamino)-4-methyl-5-thiazolyl methyl, 1-(2-allylamino-4-methyl-thiazol-5-yl)-ethanone
| Molecular Formula | C9H12N2OS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.06703 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 21224-54-4 |
|---|---|
| SMILES | CC1=C(SC(=N1)NCC=C)C(=O)C |
| InChIKey | MGEBUCFVHUZVRV-UHFFFAOYSA-N |
Product Overview
1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone (CAS 21224-54-4), with molecular formula C9H12N2OS and molecular weight 196.07 g/mol. IUPAC: 1-[4-methyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]ethanone.
Chemical Property Profile of 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
Property Insights of 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone. Following Lipinski's Rule of Five, 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone 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 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The CAS number of 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone is 21224-54-4.
What is the molecular formula of 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The molecular formula of 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone is C9H12N2OS.
What is the molecular weight of 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
The molecular weight of 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone is 196.07 g/mol.
Where can I buy 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
You can request a quote for 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(Allylamino)-4-methyl-1,3-thiazol-5-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.