1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C14H19N3O3S — CID 108804450

IUPAC1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CCN(C(C)=O)CC2)nc1C
InChIInChI=1S/C14H19N3O3S/c1-8-12(9(2)18)21-14(15-8)16-13(20)11-4-6-17(7-5-11)10(3)19/h11H,4-7H2,1-3H3,(H,15,16,20)
InChIKeyITNWUHHTPFQGIO-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.85
Rot. Bonds3

About 1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 108804450) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID108804450
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2CCN(C(C)=O)CC2)nc1C
InChIInChI=1S/C14H19N3O3S/c1-8-12(9(2)18)21-14(15-8)16-13(20)11-4-6-17(7-5-11)10(3)19/h11H,4-7H2,1-3H3,(H,15,16,20)
InChIKeyITNWUHHTPFQGIO-UHFFFAOYSA-N
XLogP1.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
(1R,2S,4S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11914236
1-acetyl-N-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17143902
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)propanamide
CID 19183925
1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 78927453
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
1-acetyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121122731
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827627
cis-(1R,2S)-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 35760812
1-(cyclopropanecarbonyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895685

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 108804450) is 1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CC(=O)c1sc(NC(=O)C2CCN(C(C)=O)CC2)nc1C.
What is the InChIKey of 1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is ITNWUHHTPFQGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-8-12(9(2)18)21-14(15-8)16-13(20)11-4-6-17(7-5-11)10(3)19/h11H,4-7H2,1-3H3,(H,15,16,20).
What are the key properties of 1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 108804450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).