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

C13H19N3O2S — CID 108504625

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1nc(NC(=O)C(=O)N2CCC(C)CC2)sc1C
InChIInChI=1S/C13H19N3O2S/c1-8-4-6-16(7-5-8)12(18)11(17)15-13-14-9(2)10(3)19-13/h8H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyKRLAANXUVDUKLP-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.96
Rot. Bonds1

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108504625) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108504625
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCc1nc(NC(=O)C(=O)N2CCC(C)CC2)sc1C
InChIInChI=1S/C13H19N3O2S/c1-8-4-6-16(7-5-8)12(18)11(17)15-13-14-9(2)10(3)19-13/h8H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyKRLAANXUVDUKLP-UHFFFAOYSA-N
XLogP1.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoacetyl]piperidine-4-carboxylate
CID 108504264
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methoxypiperidin-1-yl)-2-oxoacetamide
CID 136537954
2-(4-methylpiperidin-1-yl)-2-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47336466
2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108726679
N-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47199232
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529955
1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782049
1-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47118869
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 61464445
4,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 65169595
N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673
(3S)-N-[5-(3-hydroxypropyl)-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1-carboxamide
CID 145485919

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (CID 108504625) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is Cc1nc(NC(=O)C(=O)N2CCC(C)CC2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is KRLAANXUVDUKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8-4-6-16(7-5-8)12(18)11(17)15-13-14-9(2)10(3)19-13/h8H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 281.38 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108504625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).