4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole

C11H9ClFNS — CID 116967902

IUPAC4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(F)c(C)cc2Cl)cs1
InChIInChI=1S/C11H9ClFNS/c1-6-3-9(12)8(4-10(6)13)11-5-15-7(2)14-11/h3-5H,1-2H3
InChIKeyCFRKAFZRNVKEAZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP4.22
Rot. Bonds1

About 4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole

4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole (PubChem CID 116967902) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
PubChem CID116967902
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC Name4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(F)c(C)cc2Cl)cs1
InChIInChI=1S/C11H9ClFNS/c1-6-3-9(12)8(4-10(6)13)11-5-15-7(2)14-11/h3-5H,1-2H3
InChIKeyCFRKAFZRNVKEAZ-UHFFFAOYSA-N
XLogP4.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
CID 116968150
[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 116964901
1-[4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]ethanone
CID 116867500
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
CID 80717940
4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine
CID 116897024
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole
CID 116856670
2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
CID 11117740
1-[2-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 116890235
4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894823
4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 10861139
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine
CID 116900585

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole (CID 116967902) is 4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole is Cc1nc(-c2cc(F)c(C)cc2Cl)cs1.
What is the InChIKey of 4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole?
The InChIKey is CFRKAFZRNVKEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c1-6-3-9(12)8(4-10(6)13)11-5-15-7(2)14-11/h3-5H,1-2H3.
What are the key properties of 4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole?
4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole has a molecular weight of 241.72 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 116967902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).