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

C7H6F3NO2S — CID 19885541

IUPAC2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CC(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C7H6F3NO2S/c1-3-11-4(2-7(8,9)10)5(14-3)6(12)13/h2H2,1H3,(H,12,13)
InChIKeyAZBIXDSZENWILI-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.25
Rot. Bonds2

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

2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 19885541) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID19885541
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CC(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C7H6F3NO2S/c1-3-11-4(2-7(8,9)10)5(14-3)6(12)13/h2H2,1H3,(H,12,13)
InChIKeyAZBIXDSZENWILI-UHFFFAOYSA-N
XLogP2.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl-1,3-thiazole-5-carboxylic acid
CID 736488
2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 13835292
2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 1486080
2-Methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 70368097
4-Methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 10899900
4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 14648765
2-Methyl-4-propyl-5-thiazolecarboxylic acid
CID 14653141
4-Ethyl-1,3-thiazole-5-carboxylic acid
CID 14653144
2-Tert-butyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885501
4-Tert-butyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 19885551
5-Thiazolecarboxylic acid, 2-bromo-4-ethyl-
CID 22411065
2-Methoxy-4-(trifluoromethyl)thiazole-5-carboxylic acid
CID 19885542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid (CID 19885541) is 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid is Cc1nc(CC(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is AZBIXDSZENWILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-3-11-4(2-7(8,9)10)5(14-3)6(12)13/h2H2,1H3,(H,12,13).
What are the key properties of 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid?
2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 225.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19885541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).