![1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone structure](/static/products/5779/577963-72-5.webp)
1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone
TL;DR: 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone (CAS 577963-72-5) is a chemical compound with molecular formula C14H12N4OS and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(1,3-benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone
Also Known As: 1-[2-(1,3-benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone, 1-(2-(benzo[d]thiazol-2-ylamino)-5-methylpyrimidin-4-yl)ethanone
| Molecular Formula | C14H12N4OS |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.07318 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 577963-72-5 |
|---|---|
| SMILES | CC1=CN=C(N=C1C(=O)C)NC2=NC3=CC=CC=C3S2 |
| InChIKey | FYZRPFNWGPPHTK-UHFFFAOYSA-N |
Product Overview
1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone (CAS 577963-72-5), with molecular formula C14H12N4OS and molecular weight 284.07 g/mol. IUPAC: 1-[2-(1,3-benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone.
Chemical Property Profile of 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone
Property Insights of 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone
The XLogP value of 3.3 indicates that 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone. Following Lipinski's Rule of Five, 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone has 1 hydrogen bond donor(s) and 6 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-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone?
The CAS number of 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone is 577963-72-5.
What is the molecular formula of 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone?
The molecular formula of 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone is C14H12N4OS.
What is the molecular weight of 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone?
The molecular weight of 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone is 284.07 g/mol.
Where can I buy 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone?
You can request a quote for 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-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-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(1,3-Benzothiazol-2-ylamino)-5-methylpyrimidin-4-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.