2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
TL;DR: 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile (CAS 371125-60-9) is a chemical compound with molecular formula C20H15N5OS and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
Also Known As: 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile, 2-(benzo[d]thiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile, 2-[(2Z)-1,3-benzothiazol-2(3H)-ylideneamino]-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
| Molecular Formula | C20H15N5OS |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 4.6856 |
| Topological Polar Surface Area | 83.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.09973 |
| Heavy Atoms | 27 |
| Complexity | 1128.4248 |
Chemical Identifiers
| CAS Number | 371125-60-9 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)NC2=NC3=CC=CC=C3S2)C4=CC=C(C=C4)OC)C#N |
Product Overview
2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile (CAS 371125-60-9), with molecular formula C20H15N5OS and molecular weight 373.10 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
Property Insights of 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
The XLogP value of 4.6856 indicates that 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 7 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 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile?
The CAS number of 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile is 371125-60-9.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile?
The molecular formula of 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile is C20H15N5OS.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile?
The molecular weight of 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile is 373.10 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile?
You can request a quote for 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylamino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.