4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid

C9H6F3N3O2S — CID 75365579

IUPAC4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-n2nccc2C(F)(F)F)sc1C(=O)O
InChIInChI=1S/C9H6F3N3O2S/c1-4-6(7(16)17)18-8(14-4)15-5(2-3-13-15)9(10,11)12/h2-3H,1H3,(H,16,17)
InChIKeyJTOQPWULSOLSOC-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.35
Rot. Bonds2

About 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 75365579) has the molecular formula C9H6F3N3O2S and a molecular weight of 277.23 g/mol. Its IUPAC name is 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID75365579
Molecular FormulaC9H6F3N3O2S
Molecular Weight277.23 g/mol
Exact Mass277.01
IUPAC Name4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-n2nccc2C(F)(F)F)sc1C(=O)O
InChIInChI=1S/C9H6F3N3O2S/c1-4-6(7(16)17)18-8(14-4)15-5(2-3-13-15)9(10,11)12/h2-3H,1H3,(H,16,17)
InChIKeyJTOQPWULSOLSOC-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid (CID 75365579) is 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid is Cc1nc(-n2nccc2C(F)(F)F)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is JTOQPWULSOLSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2S/c1-4-6(7(16)17)18-8(14-4)15-5(2-3-13-15)9(10,11)12/h2-3H,1H3,(H,16,17).
What are the key properties of 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 277.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 75365579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).