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

C11H10ClNOS — CID 62942162

IUPAC2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cl)sc2C)cc1
InChIInChI=1S/C11H10ClNOS/c1-7-10(13-11(12)15-7)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3
InChIKeyAZBWBQSPLLJSMV-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.78
Rot. Bonds2

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

2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole (PubChem CID 62942162) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
PubChem CID62942162
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cl)sc2C)cc1
InChIInChI=1S/C11H10ClNOS/c1-7-10(13-11(12)15-7)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3
InChIKeyAZBWBQSPLLJSMV-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 78907377
2-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 39351949
2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole
CID 105480004
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522
1-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 61336837
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 23882311
N-[(4-chlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 4150283
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
(2R)-2-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 119264683
2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 54307577
2-chloro-4-(4-methoxyphenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazole
CID 15603902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole (CID 62942162) is 2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole is COc1ccc(-c2nc(Cl)sc2C)cc1.
What is the InChIKey of 2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
The InChIKey is AZBWBQSPLLJSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-7-10(13-11(12)15-7)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole?
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole has a molecular weight of 239.73 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 62942162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).