N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine

C14H11ClN4S — CID 11231940

IUPACN-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cnc(-c2ccnc(Nc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C14H11ClN4S/c1-9-8-17-13(20-9)12-6-7-16-14(19-12)18-11-4-2-10(15)3-5-11/h2-8H,1H3,(H,16,18,19)
InChIKeyKFLBJCSNUCLVGS-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.31
Rot. Bonds3

About N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine

N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 11231940) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID11231940
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC NameN-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cnc(-c2ccnc(Nc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C14H11ClN4S/c1-9-8-17-13(20-9)12-6-7-16-14(19-12)18-11-4-2-10(15)3-5-11/h2-8H,1H3,(H,16,18,19)
InChIKeyKFLBJCSNUCLVGS-UHFFFAOYSA-N
XLogP4.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 58974655
4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine
CID 58974828
1-[3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 58974639
N-[5-[2-(4-chloroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]formamide
CID 142894175
N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 70946567
4-(5-methyl-1,3-thiazol-2-yl)-N-(1-phenylimidazol-4-yl)pyrimidin-2-amine
CID 134605349
N-(4-chlorophenyl)-4-(2-phenyl-1H-imidazol-5-yl)pyrimidin-2-amine
CID 71378975
N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 58974728
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 11538234
N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 11255595
methyl 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoate
CID 68901316
4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
CID 91664233

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine (CID 11231940) is N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine is Cc1cnc(-c2ccnc(Nc3ccc(Cl)cc3)n2)s1.
What is the InChIKey of N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is KFLBJCSNUCLVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c1-9-8-17-13(20-9)12-6-7-16-14(19-12)18-11-4-2-10(15)3-5-11/h2-8H,1H3,(H,16,18,19).
What are the key properties of N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 302.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 11231940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).