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

C6H4F3NO2S — CID 53404414

IUPAC5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
SMILESCc1sc(C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C6H4F3NO2S/c1-2-3(6(7,8)9)10-4(13-2)5(11)12/h1H3,(H,11,12)
InChIKeyWKOZROOWNUINTM-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.17
Rot. Bonds1

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

5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 53404414) has the molecular formula C6H4F3NO2S and a molecular weight of 211.16 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID53404414
Molecular FormulaC6H4F3NO2S
Molecular Weight211.16 g/mol
Exact Mass210.99
IUPAC Name5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
SMILESCc1sc(C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C6H4F3NO2S/c1-2-3(6(7,8)9)10-4(13-2)5(11)12/h1H3,(H,11,12)
InChIKeyWKOZROOWNUINTM-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid (CID 53404414) is 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid is Cc1sc(C(=O)O)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is WKOZROOWNUINTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2S/c1-2-3(6(7,8)9)10-4(13-2)5(11)12/h1H3,(H,11,12).
What are the key properties of 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-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 5-methyl-4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 53404414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).