4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole

C22H16FNS — CID 163760203

IUPAC4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
SMILESCc1cc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)ccc1F
InChIInChI=1S/C22H16FNS/c1-15-12-18(10-11-20(15)23)17-8-5-9-19(13-17)21-14-25-22(24-21)16-6-3-2-4-7-16/h2-14H,1H3
InChIKeyLXNPGTFUSRQXKA-UHFFFAOYSA-N
MW345.44 g/mol
LogP6.59
Rot. Bonds3

About 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole

4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole (PubChem CID 163760203) has the molecular formula C22H16FNS and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
PubChem CID163760203
Molecular FormulaC22H16FNS
Molecular Weight345.44 g/mol
Exact Mass345.10
IUPAC Name4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
SMILESCc1cc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)ccc1F
InChIInChI=1S/C22H16FNS/c1-15-12-18(10-11-20(15)23)17-8-5-9-19(13-17)21-14-25-22(24-21)16-6-3-2-4-7-16/h2-14H,1H3
InChIKeyLXNPGTFUSRQXKA-UHFFFAOYSA-N
XLogP6.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-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

4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667884
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
4-(4-fluoro-3-methylphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 5230087
2-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965969
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
4-(3,4-difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667919
2-chloro-4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 118577090
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole (CID 163760203) is 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole is Cc1cc(-c2cccc(-c3csc(-c4ccccc4)n3)c2)ccc1F.
What is the InChIKey of 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole?
The InChIKey is LXNPGTFUSRQXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNS/c1-15-12-18(10-11-20(15)23)17-8-5-9-19(13-17)21-14-25-22(24-21)16-6-3-2-4-7-16/h2-14H,1H3.
What are the key properties of 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole?
4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole has a molecular weight of 345.44 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 163760203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).