1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid

C14H22N2O2S — CID 65069205

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCc1nc(C)c(C(C)N2CCCC(C)(C(=O)O)C2)s1
InChIInChI=1S/C14H22N2O2S/c1-9-12(19-11(3)15-9)10(2)16-7-5-6-14(4,8-16)13(17)18/h10H,5-8H2,1-4H3,(H,17,18)
InChIKeyVKVKVQAMFRZBCZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 65069205) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID65069205
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
SMILESCc1nc(C)c(C(C)N2CCCC(C)(C(=O)O)C2)s1
InChIInChI=1S/C14H22N2O2S/c1-9-12(19-11(3)15-9)10(2)16-7-5-6-14(4,8-16)13(17)18/h10H,5-8H2,1-4H3,(H,17,18)
InChIKeyVKVKVQAMFRZBCZ-UHFFFAOYSA-N
XLogP3.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-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

3-methyl-1-(1-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 65068572
3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 65069204
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid
CID 65072203
5-[1-(3,3-diethyl-1,4-diazepan-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 64943457
1-[1-(1-benzofuran-2-yl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068817
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068532
1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid
CID 63136599
1-[1-(2,4-dihydroxyphenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 65068577
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812
1-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylpiperidine-3-carboxylic acid
CID 82973699
4-methyl-5-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 87904324

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid (CID 65069205) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid is Cc1nc(C)c(C(C)N2CCCC(C)(C(=O)O)C2)s1.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is VKVKVQAMFRZBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-12(19-11(3)15-9)10(2)16-7-5-6-14(4,8-16)13(17)18/h10H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 282.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65069205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).