2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C12H8F3NO3S — CID 82276870

IUPAC2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C12H8F3NO3S/c1-19-7-5-3-2-4-6(7)10-16-9(12(13,14)15)8(20-10)11(17)18/h2-5H,1H3,(H,17,18)
InChIKeyYBKVWYOZOXYVPB-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82276870) has the molecular formula C12H8F3NO3S and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82276870
Molecular FormulaC12H8F3NO3S
Molecular Weight303.26 g/mol
Exact Mass303.02
IUPAC Name2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C12H8F3NO3S/c1-19-7-5-3-2-4-6(7)10-16-9(12(13,14)15)8(20-10)11(17)18/h2-5H,1H3,(H,17,18)
InChIKeyYBKVWYOZOXYVPB-UHFFFAOYSA-N
XLogP3.54
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 106789844
5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696093
2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 68770175
2-(5-chloro-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 107124594
2-(5-bromo-2-methoxyphenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114360575
2-(2-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358835
ethyl 2-(2-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 96536531
2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276873
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
2-(2-bromophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114359471
2-(4-ethylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82308450
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 82276870) is 2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is COc1ccccc1-c1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YBKVWYOZOXYVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3S/c1-19-7-5-3-2-4-6(7)10-16-9(12(13,14)15)8(20-10)11(17)18/h2-5H,1H3,(H,17,18).
What are the key properties of 2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 303.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82276870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).