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

C6H4F3NO2S — CID 1486080

IUPAC2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)
InChIKeyREKJPVUFKQYMHW-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.17
Rot. Bonds1

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

2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 1486080) has the molecular formula C6H4F3NO2S and a molecular weight of 211.16 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID1486080
Molecular FormulaC6H4F3NO2S
Molecular Weight211.16 g/mol
Exact Mass210.99
IUPAC Name2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)
InChIKeyREKJPVUFKQYMHW-UHFFFAOYSA-N
XLogP2.17
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl-1,3-thiazole-5-carboxylic acid
CID 736488
4-Methylthiazole-5-carboxylic acid
CID 209805
2-Chloro-4-methyl-1,3-thiazole-5-carboxylic acid
CID 666960
2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2824058
2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 13835292
2-Chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 13282743
4-Methyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 13835293
Dimethyl-1,3-thiazole-4-carboxylic acid
CID 13835313
4-Methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 15093930
4-Methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 10899900
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 14648765
4-(Trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 18943373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 1486080) is 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is Cc1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is REKJPVUFKQYMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12).
What are the key properties of 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 211.16 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 1486080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).