4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole

C16H12ClNS — CID 150697593

IUPAC4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1
InChIInChI=1S/C16H12ClNS/c1-11-5-7-12(8-6-11)16-18-15(10-19-16)13-3-2-4-14(17)9-13/h2-10H,1H3
InChIKeyJLEGFWRGQYOSMZ-UHFFFAOYSA-N
MW285.80 g/mol
LogP5.44
Rot. Bonds2

About 4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole

4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 150697593) has the molecular formula C16H12ClNS and a molecular weight of 285.80 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
PubChem CID150697593
Molecular FormulaC16H12ClNS
Molecular Weight285.80 g/mol
Exact Mass285.04
IUPAC Name4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1
InChIInChI=1S/C16H12ClNS/c1-11-5-7-12(8-6-11)16-18-15(10-19-16)13-3-2-4-14(17)9-13/h2-10H,1H3
InChIKeyJLEGFWRGQYOSMZ-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

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Related Compounds

[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
2-(2,6-dichloro-4-pyridinyl)-4-(4-methylphenyl)-1,3-thiazole
CID 2798615
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
CID 163760203
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 55152978
2-bromo-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 39164069
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 112723241
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole (CID 150697593) is 4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is JLEGFWRGQYOSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNS/c1-11-5-7-12(8-6-11)16-18-15(10-19-16)13-3-2-4-14(17)9-13/h2-10H,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole?
4-(3-chlorophenyl)-2-(4-methylphenyl)-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 4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 150697593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).