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

C10H8F3N3O2S — CID 113497237

IUPAC2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nn(C)cc1-c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C10H8F3N3O2S/c1-4-5(3-16(2)15-4)8-14-7(10(11,12)13)6(19-8)9(17)18/h3H,1-2H3,(H,17,18)
InChIKeyDRTLWGMRCJGJJU-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.57
Rot. Bonds2

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

2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 113497237) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID113497237
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nn(C)cc1-c1nc(C(F)(F)F)c(C(=O)O)s1
InChIInChI=1S/C10H8F3N3O2S/c1-4-5(3-16(2)15-4)8-14-7(10(11,12)13)6(19-8)9(17)18/h3H,1-2H3,(H,17,18)
InChIKeyDRTLWGMRCJGJJU-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 113497237) is 2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is Cc1nn(C)cc1-c1nc(C(F)(F)F)c(C(=O)O)s1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DRTLWGMRCJGJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-4-5(3-16(2)15-4)8-14-7(10(11,12)13)6(19-8)9(17)18/h3H,1-2H3,(H,17,18).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 291.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 113497237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).