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

C10H8F3N3O2S — CID 1472836

IUPAC4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(C(F)(F)F)n(-c2nc(C)c(C(=O)O)s2)n1
InChIInChI=1S/C10H8F3N3O2S/c1-4-3-6(10(11,12)13)16(15-4)9-14-5(2)7(19-9)8(17)18/h3H,1-2H3,(H,17,18)
InChIKeyVXTJZESZLCPVLW-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.66
Rot. Bonds2

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

4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 1472836) has the molecular formula C10H8F3N3O2S and a molecular weight of 291.25 g/mol. Its IUPAC name is 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID1472836
Molecular FormulaC10H8F3N3O2S
Molecular Weight291.25 g/mol
Exact Mass291.03
IUPAC Name4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(C(F)(F)F)n(-c2nc(C)c(C(=O)O)s2)n1
InChIInChI=1S/C10H8F3N3O2S/c1-4-3-6(10(11,12)13)16(15-4)9-14-5(2)7(19-9)8(17)18/h3H,1-2H3,(H,17,18)
InChIKeyVXTJZESZLCPVLW-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid (CID 1472836) is 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid is Cc1cc(C(F)(F)F)n(-c2nc(C)c(C(=O)O)s2)n1.
What is the InChIKey of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VXTJZESZLCPVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S/c1-4-3-6(10(11,12)13)16(15-4)9-14-5(2)7(19-9)8(17)18/h3H,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 291.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 1472836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).