(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide

C19H23N3O2S — CID 95990027

IUPAC(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)sc1C
InChIInChI=1S/C19H23N3O2S/c1-13-14(2)25-17(21-13)12-20-18(23)16-10-6-7-11-22(16)19(24)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyHUKPRQMUGFTBGJ-INIZCTEOSA-N
MW357.48 g/mol
LogP3.07
Rot. Bonds4

About (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide

(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 95990027) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
PubChem CID95990027
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)sc1C
InChIInChI=1S/C19H23N3O2S/c1-13-14(2)25-17(21-13)12-20-18(23)16-10-6-7-11-22(16)19(24)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyHUKPRQMUGFTBGJ-INIZCTEOSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide 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

(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 124569912
1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 110887535
1-benzoyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine-2-carboxamide
CID 131929739
1-benzoyl-N-[2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidine-2-carboxamide
CID 131927568
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 111461020
methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 91784960
1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide
CID 136524906
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016053
N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 5019016
(2R)-N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 815025

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide (CID 95990027) is (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide is Cc1nc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)sc1C.
What is the InChIKey of (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is HUKPRQMUGFTBGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-13-14(2)25-17(21-13)12-20-18(23)16-10-6-7-11-22(16)19(24)15-8-4-3-5-9-15/h3-5,8-9,16H,6-7,10-12H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide?
(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 95990027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).