1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C17H19N3O2S — CID 2559025

IUPAC1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C17H19N3O2S/c1-12-4-2-3-5-14(12)16(22)20-9-6-13(7-10-20)15(21)19-17-18-8-11-23-17/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,18,19,21)
InChIKeyJXAFZUKABPKUSI-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 2559025) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID2559025
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C17H19N3O2S/c1-12-4-2-3-5-14(12)16(22)20-9-6-13(7-10-20)15(21)19-17-18-8-11-23-17/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,18,19,21)
InChIKeyJXAFZUKABPKUSI-UHFFFAOYSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
N-(5-(3-(1-acetylpiperazine-4-carbonyl)-4,5-dimethylbenzylthio)thiazol-2-yl)-4-((3,3-dimethylbutan-2-ylamino)methyl)benzamide
CID 11527400
N-2-Thiazolylbenzamide
CID 569547
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
N-(1,3-Thiazol-2-YL)-1-naphthamide
CID 686200
2-(2-methylpropyl)-1,3-dioxo-N-(1,3-thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 700307
N-(1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 780357
2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CID 45370166
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
2-(3-fluorophenyl)-2-[5-[4-(1-methylpiperidin-4-yl)phenyl]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 168278413

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 2559025) is 1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)Nc2nccs2)CC1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is JXAFZUKABPKUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-4-2-3-5-14(12)16(22)20-9-6-13(7-10-20)15(21)19-17-18-8-11-23-17/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,18,19,21).
What are the key properties of 1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2559025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).