2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole

C13H14ClNOS — CID 116968145

IUPAC2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole
SMILESCOc1c(C)c(C)cc(C)c1-c1csc(Cl)n1
InChIInChI=1S/C13H14ClNOS/c1-7-5-8(2)11(12(16-4)9(7)3)10-6-17-13(14)15-10/h5-6H,1-4H3
InChIKeyKJTHOLAWUWVLGS-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.40
Rot. Bonds2

About 2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole

2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole (PubChem CID 116968145) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole
PubChem CID116968145
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole
SMILESCOc1c(C)c(C)cc(C)c1-c1csc(Cl)n1
InChIInChI=1S/C13H14ClNOS/c1-7-5-8(2)11(12(16-4)9(7)3)10-6-17-13(14)15-10/h5-6H,1-4H3
InChIKeyKJTHOLAWUWVLGS-UHFFFAOYSA-N
XLogP4.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazol-2-yl]methanol
CID 116867475
2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
CID 116968103
3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 115112351
4-(2-methoxy-3,4,6-trimethylphenyl)-3H-1,3-thiazole-2-thione
CID 116966067
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
CID 116967848
5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 115111588
[6-(2-methoxy-3,4,6-trimethylphenyl)pyrimidin-4-yl]methanamine
CID 116857602
2-(bromomethyl)-4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-thiazole
CID 116970374
1-[4-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867562
2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
CID 21409028
2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
CID 116968150
2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
CID 116970319

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole (CID 116968145) is 2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole is COc1c(C)c(C)cc(C)c1-c1csc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole?
The InChIKey is KJTHOLAWUWVLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-7-5-8(2)11(12(16-4)9(7)3)10-6-17-13(14)15-10/h5-6H,1-4H3.
What are the key properties of 2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole?
2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole has a molecular weight of 267.78 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116968145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).