1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid

C10H12F3N3O2S — CID 154785114

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
SMILESCc1nsc(N2CCC(C(=O)O)(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H12F3N3O2S/c1-6-14-8(19-15-6)16-4-2-9(3-5-16,7(17)18)10(11,12)13/h2-5H2,1H3,(H,17,18)
InChIKeyODKZAMGNUDNQSQ-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.08
Rot. Bonds2

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid

1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid (PubChem CID 154785114) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
PubChem CID154785114
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid
SMILESCc1nsc(N2CCC(C(=O)O)(C(F)(F)F)CC2)n1
InChIInChI=1S/C10H12F3N3O2S/c1-6-14-8(19-15-6)16-4-2-9(3-5-16,7(17)18)10(11,12)13/h2-5H2,1H3,(H,17,18)
InChIKeyODKZAMGNUDNQSQ-UHFFFAOYSA-N
XLogP2.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid (CID 154785114) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid is Cc1nsc(N2CCC(C(=O)O)(C(F)(F)F)CC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid?
The InChIKey is ODKZAMGNUDNQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-6-14-8(19-15-6)16-4-2-9(3-5-16,7(17)18)10(11,12)13/h2-5H2,1H3,(H,17,18).
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid?
1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 154785114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).