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

C11H13F3N2O2S — CID 115424754

IUPAC5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(N2CCCC(C(F)(F)F)C2)nc1C(=O)O
InChIInChI=1S/C11H13F3N2O2S/c1-6-8(9(17)18)15-10(19-6)16-4-2-3-7(5-16)11(12,13)14/h7H,2-5H2,1H3,(H,17,18)
InChIKeyCQSHTSMOZWLWOU-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.93
Rot. Bonds2

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

5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 115424754) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID115424754
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(N2CCCC(C(F)(F)F)C2)nc1C(=O)O
InChIInChI=1S/C11H13F3N2O2S/c1-6-8(9(17)18)15-10(19-6)16-4-2-3-7(5-16)11(12,13)14/h7H,2-5H2,1H3,(H,17,18)
InChIKeyCQSHTSMOZWLWOU-UHFFFAOYSA-N
XLogP2.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-acetyl-5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 122048357
3-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 69219876
6-[3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 66452127
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307331
2-(2-cyanomorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424826
5-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 80631786
2-(4-methoxy-3,3-dimethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 138002978
2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 95288282
ethyl 5-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526769
1-[5-methyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 130834392
methyl 5-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115424355
4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62765777

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid (CID 115424754) is 5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid is Cc1sc(N2CCCC(C(F)(F)F)C2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CQSHTSMOZWLWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-6-8(9(17)18)15-10(19-6)16-4-2-3-7(5-16)11(12,13)14/h7H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 294.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115424754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).