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

C5H2F3NO2S — CID 18673010

IUPAC4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H2F3NO2S/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1H,(H,10,11)
InChIKeyUJIAFLBUSAICKJ-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.86
Rot. Bonds1

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

4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 18673010) has the molecular formula C5H2F3NO2S and a molecular weight of 197.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID18673010
Molecular FormulaC5H2F3NO2S
Molecular Weight197.14 g/mol
Exact Mass196.98
IUPAC Name4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C5H2F3NO2S/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1H,(H,10,11)
InChIKeyUJIAFLBUSAICKJ-UHFFFAOYSA-N
XLogP1.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid (CID 18673010) is 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is UJIAFLBUSAICKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO2S/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1H,(H,10,11).
What are the key properties of 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid?
4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 197.14 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 18673010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).