1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid

C19H23N3O3S — CID 122092678

IUPAC1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(Cc2sc(NC(=O)N3CCCC(C(=O)O)C3)nc2C)cc1
InChIInChI=1S/C19H23N3O3S/c1-12-5-7-14(8-6-12)10-16-13(2)20-18(26-16)21-19(25)22-9-3-4-15(11-22)17(23)24/h5-8,15H,3-4,9-11H2,1-2H3,(H,23,24)(H,20,21,25)
InChIKeyYPQQAQPWPJPHSW-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.68
Rot. Bonds4

About 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid

1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122092678) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122092678
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(Cc2sc(NC(=O)N3CCCC(C(=O)O)C3)nc2C)cc1
InChIInChI=1S/C19H23N3O3S/c1-12-5-7-14(8-6-12)10-16-13(2)20-18(26-16)21-19(25)22-9-3-4-15(11-22)17(23)24/h5-8,15H,3-4,9-11H2,1-2H3,(H,23,24)(H,20,21,25)
InChIKeyYPQQAQPWPJPHSW-UHFFFAOYSA-N
XLogP3.68
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]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-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895685
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119297288
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55896068
1-[[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122094985
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 86849733
1-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122084976
1-[[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122079781
4-hydroxy-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 122150532
1-amino-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119737916
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062821
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid (CID 122092678) is 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid is Cc1ccc(Cc2sc(NC(=O)N3CCCC(C(=O)O)C3)nc2C)cc1.
What is the InChIKey of 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is YPQQAQPWPJPHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-5-7-14(8-6-12)10-16-13(2)20-18(26-16)21-19(25)22-9-3-4-15(11-22)17(23)24/h5-8,15H,3-4,9-11H2,1-2H3,(H,23,24)(H,20,21,25).
What are the key properties of 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid?
1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 373.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122092678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).