1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid

C17H18N2O3S — CID 122142819

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid
SMILESCc1csc(-c2ccc(C(=O)N3CCCCC3C(=O)O)cc2)n1
InChIInChI=1S/C17H18N2O3S/c1-11-10-23-15(18-11)12-5-7-13(8-6-12)16(20)19-9-3-2-4-14(19)17(21)22/h5-8,10,14H,2-4,9H2,1H3,(H,21,22)
InChIKeyIDIIICMHIVORIA-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.20
Rot. Bonds3

About 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid

1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid (PubChem CID 122142819) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid
PubChem CID122142819
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid
SMILESCc1csc(-c2ccc(C(=O)N3CCCCC3C(=O)O)cc2)n1
InChIInChI=1S/C17H18N2O3S/c1-11-10-23-15(18-11)12-5-7-13(8-6-12)16(20)19-9-3-2-4-14(19)17(21)22/h5-8,10,14H,2-4,9H2,1H3,(H,21,22)
InChIKeyIDIIICMHIVORIA-UHFFFAOYSA-N
XLogP3.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-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

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 56800558
(3S)-4-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]morpholine-3-carboxylic acid
CID 125153602
(3S)-1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 124695823
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 119175795
(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 75423131
(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371423
1-[4-(propan-2-ylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 120514922
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 95350854
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2R)-1-[4-[(S)-methylsulfinyl]benzoyl]piperidine-2-carboxylic acid
CID 124577139

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid (CID 122142819) is 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid is Cc1csc(-c2ccc(C(=O)N3CCCCC3C(=O)O)cc2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid?
The InChIKey is IDIIICMHIVORIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-10-23-15(18-11)12-5-7-13(8-6-12)16(20)19-9-3-2-4-14(19)17(21)22/h5-8,10,14H,2-4,9H2,1H3,(H,21,22).
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid?
1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid has a molecular weight of 330.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 122142819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).