5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole

C16H12ClFN2S — CID 28710053

IUPAC5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCc1cc(-c2nc(-c3ccncc3)sc2CCl)ccc1F
InChIInChI=1S/C16H12ClFN2S/c1-10-8-12(2-3-13(10)18)15-14(9-17)21-16(20-15)11-4-6-19-7-5-11/h2-8H,9H2,1H3
InChIKeyCUYSNEZYUDTXBK-UHFFFAOYSA-N
MW318.80 g/mol
LogP5.06
Rot. Bonds3

About 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole

5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 28710053) has the molecular formula C16H12ClFN2S and a molecular weight of 318.80 g/mol. Its IUPAC name is 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID28710053
Molecular FormulaC16H12ClFN2S
Molecular Weight318.80 g/mol
Exact Mass318.04
IUPAC Name5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCc1cc(-c2nc(-c3ccncc3)sc2CCl)ccc1F
InChIInChI=1S/C16H12ClFN2S/c1-10-8-12(2-3-13(10)18)15-14(9-17)21-16(20-15)11-4-6-19-7-5-11/h2-8H,9H2,1H3
InChIKeyCUYSNEZYUDTXBK-UHFFFAOYSA-N
XLogP5.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.80
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole 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

5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
CID 28710048
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
CID 93216544
4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
CID 79831802
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
5-[2-(4-fluoro-3-methylphenyl)-5-propyl-1,3-thiazol-4-yl]-2H-triazole-4-carbonitrile
CID 170147435
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyridin-4-yl-1,3-thiazole
CID 51037930
2-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-4-methyl-1,3-thiazole
CID 116885355
2-(2-chloroethyl)-4-(4-fluoro-3-methylphenyl)pyrimidine
CID 116899332

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole (CID 28710053) is 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole is Cc1cc(-c2nc(-c3ccncc3)sc2CCl)ccc1F.
What is the InChIKey of 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is CUYSNEZYUDTXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2S/c1-10-8-12(2-3-13(10)18)15-14(9-17)21-16(20-15)11-4-6-19-7-5-11/h2-8H,9H2,1H3.
What are the key properties of 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole?
5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 318.80 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 28710053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).