N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide

C13H19N3O3S — CID 136537954

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide
SMILESCOC1CCCN(C(=O)C(=O)Nc2nc(C)c(C)s2)C1
InChIInChI=1S/C13H19N3O3S/c1-8-9(2)20-13(14-8)15-11(17)12(18)16-6-4-5-10(7-16)19-3/h10H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyAXUDSJIVUVAJGY-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.34
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide (PubChem CID 136537954) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide
PubChem CID136537954
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide
SMILESCOC1CCCN(C(=O)C(=O)Nc2nc(C)c(C)s2)C1
InChIInChI=1S/C13H19N3O3S/c1-8-9(2)20-13(14-8)15-11(17)12(18)16-6-4-5-10(7-16)19-3/h10H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyAXUDSJIVUVAJGY-UHFFFAOYSA-N
XLogP1.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504625
ethyl 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate
CID 108504264
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869
2-[(3-methoxypiperidine-1-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 102961703
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102971716
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylsulfanylpiperidin-3-yl)urea
CID 91242212
(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 102963897
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529955
N-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47199232
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide (CID 136537954) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide is COC1CCCN(C(=O)C(=O)Nc2nc(C)c(C)s2)C1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide?
The InChIKey is AXUDSJIVUVAJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-9(2)20-13(14-8)15-11(17)12(18)16-6-4-5-10(7-16)19-3/h10H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide has a molecular weight of 297.38 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 136537954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).