2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole

C16H12ClNS — CID 71461520

IUPAC2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole
SMILESCc1c(Cl)cccc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12ClNS/c1-11-13(8-5-9-14(11)17)16-18-15(10-19-16)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyTXARWCLNEXNMCJ-UHFFFAOYSA-N
MW285.80 g/mol
LogP5.44
Rot. Bonds2

About 2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole

2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole (PubChem CID 71461520) has the molecular formula C16H12ClNS and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole
PubChem CID71461520
Molecular FormulaC16H12ClNS
Molecular Weight285.80 g/mol
Exact Mass285.04
IUPAC Name2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole
SMILESCc1c(Cl)cccc1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12ClNS/c1-11-13(8-5-9-14(11)17)16-18-15(10-19-16)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyTXARWCLNEXNMCJ-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.80
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-2-methylphenyl)-4-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

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazole
CID 610297
[4-(4-Chloro-phenyl)-thiazol-2-yl]-cyclopentylidene-acetonitrile
CID 742475
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]ethanethioamide
CID 2350672
4-(Chloromethyl)-2-(2-chlorophenyl)-1,3-thiazole
CID 2063595
8-chloro-2-methyl-6-phenyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
CID 12878267
8-chloro-6-(2-fluorophenyl)-2-methyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
CID 12878269
8-chloro-6-(2-chlorophenyl)-2-methyl-4H-[1,3]thiazolo[5,4-d][2]benzazepine
CID 12878271
4-(4-Chlorophenyl)-2-methyl-1,3-thiazole
CID 698890
2-[1-(2,4-Dichlorophenyl)cyclopropyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2741038
(2E,4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenylpenta-2,4-dienenitrile
CID 1549335
2-(2-Chlorophenyl)-4-[2,3-dichloro-4-(ethylsulfonyl)phenyl]-1,3-thiazole
CID 4303837

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole (CID 71461520) is 2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole is Cc1c(Cl)cccc1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole?
The InChIKey is TXARWCLNEXNMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNS/c1-11-13(8-5-9-14(11)17)16-18-15(10-19-16)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of 2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole?
2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole has a molecular weight of 285.80 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 71461520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).