1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid

C15H16N2O3S2 — CID 45341250

IUPAC1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1nc(-c2cccs2)sc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H16N2O3S2/c1-9-12(22-13(16-9)11-3-2-8-21-11)14(18)17-6-4-10(5-7-17)15(19)20/h2-3,8,10H,4-7H2,1H3,(H,19,20)
InChIKeyOYNJHOJUTVBFGL-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.12
Rot. Bonds3

About 1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid

1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 45341250) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID45341250
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1nc(-c2cccs2)sc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H16N2O3S2/c1-9-12(22-13(16-9)11-3-2-8-21-11)14(18)17-6-4-10(5-7-17)15(19)20/h2-3,8,10H,4-7H2,1H3,(H,19,20)
InChIKeyOYNJHOJUTVBFGL-UHFFFAOYSA-N
XLogP3.12
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)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-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid (CID 45341250) is 1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid is Cc1nc(-c2cccs2)sc1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is OYNJHOJUTVBFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-9-12(22-13(16-9)11-3-2-8-21-11)14(18)17-6-4-10(5-7-17)15(19)20/h2-3,8,10H,4-7H2,1H3,(H,19,20).
What are the key properties of 1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid?
1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 336.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 45341250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).