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

C13H19N3O2S — CID 47118869

IUPAC1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2nc(C)c(C)s2)C1
InChIInChI=1S/C13H19N3O2S/c1-8-9(2)19-13(14-8)15-12(18)11-5-4-6-16(7-11)10(3)17/h11H,4-7H2,1-3H3,(H,14,15,18)
InChIKeyNCBAYUIKPAFDNX-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.96
Rot. Bonds2

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

1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 47118869) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID47118869
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2nc(C)c(C)s2)C1
InChIInChI=1S/C13H19N3O2S/c1-8-9(2)19-13(14-8)15-12(18)11-5-4-6-16(7-11)10(3)17/h11H,4-7H2,1-3H3,(H,14,15,18)
InChIKeyNCBAYUIKPAFDNX-UHFFFAOYSA-N
XLogP1.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 132846571
1-acetyl-N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 108804450
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide
CID 136537954
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 84563668
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 84563681
ethyl 2-[[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84562852
9-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984361
(3R)-1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81119979
N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563615
1-[(E)-2-cyclopropylprop-1-enyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)urea
CID 108915529
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 84563449
N-(3-chloro-4-methylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563684

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 47118869) is 1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2nc(C)c(C)s2)C1.
What is the InChIKey of 1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is NCBAYUIKPAFDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8-9(2)19-13(14-8)15-12(18)11-5-4-6-16(7-11)10(3)17/h11H,4-7H2,1-3H3,(H,14,15,18).
What are the key properties of 1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 47118869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).