1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid

C13H18N2O3S — CID 122083558

IUPAC1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)N2CC(C(=O)O)CCC2C)s1
InChIInChI=1S/C13H18N2O3S/c1-7-4-5-10(13(17)18)6-15(7)12(16)11-8(2)14-9(3)19-11/h7,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyOYQYFDWMFLVTRE-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.09
Rot. Bonds2

About 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122083558) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122083558
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)N2CC(C(=O)O)CCC2C)s1
InChIInChI=1S/C13H18N2O3S/c1-7-4-5-10(13(17)18)6-15(7)12(16)11-8(2)14-9(3)19-11/h7,10H,4-6H2,1-3H3,(H,17,18)
InChIKeyOYQYFDWMFLVTRE-UHFFFAOYSA-N
XLogP2.09
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-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

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122083558) is 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid is Cc1nc(C)c(C(=O)N2CC(C(=O)O)CCC2C)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is OYQYFDWMFLVTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-7-4-5-10(13(17)18)6-15(7)12(16)11-8(2)14-9(3)19-11/h7,10H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 282.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).