3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid

C12H18N2O2S — CID 65069204

IUPAC3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
SMILESCC(c1nccs1)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C12H18N2O2S/c1-9(10-13-5-7-17-10)14-6-3-4-12(2,8-14)11(15)16/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeySLRSFWYUJMBXQS-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.39
Rot. Bonds3

About 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid

3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid (PubChem CID 65069204) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
PubChem CID65069204
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
SMILESCC(c1nccs1)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C12H18N2O2S/c1-9(10-13-5-7-17-10)14-6-3-4-12(2,8-14)11(15)16/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,16)
InChIKeySLRSFWYUJMBXQS-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-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

1-(1,3-Thiazol-5-yl)piperidine-3-carboxylic acid
CID 177800059
4-[5-(4-Cyclohexylsulfonylpiperazin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoic acid
CID 139226543
Methyl 4-[5-(4-aminopiperidin-1-yl)-1,3-thiazol-2-yl]-2,2-dimethylbutanoate;hydrochloride
CID 139226549
5-Methyl-1-[[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122103190
2,2-Dimethyl-4-(1,3-thiazol-2-yl)butanoic acid
CID 68640762
2-(1,3-Thiazol-2-yl)pentanoic acid
CID 104571922
Ethyl 3-amino-4-methyl-4-(1,3-thiazol-2-yl)pentanoate
CID 130226197
4-Methyl-4-(1,3-thiazol-2-yl)pentanoic acid
CID 145012824
1-Butyl-4-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 153721943
1,3,5-Trimethyl-2-(1,3-thiazol-2-yl)piperidine-3,4-dicarboxylic acid
CID 175132582
(1-(1-(Thiazol-2-yl)ethyl)piperidin-3-yl)methanol
CID 45787179
1-(1-(Thiazol-2-yl)ethyl)piperidine-4-carboxylic acid
CID 45787180

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid (CID 65069204) is 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid is CC(c1nccs1)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is SLRSFWYUJMBXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(10-13-5-7-17-10)14-6-3-4-12(2,8-14)11(15)16/h5,7,9H,3-4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid?
3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 65069204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).