N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

C12H19N3O2S — CID 108520614

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CC(C)CN(C(=O)C(=O)NC2=NCCS2)C1
InChIInChI=1S/C12H19N3O2S/c1-8-5-9(2)7-15(6-8)11(17)10(16)14-12-13-3-4-18-12/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyPGBFQLOOASDVCF-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.71
Rot. Bonds

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108520614) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108520614
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CC(C)CN(C(=O)C(=O)NC2=NCCS2)C1
InChIInChI=1S/C12H19N3O2S/c1-8-5-9(2)7-15(6-8)11(17)10(16)14-12-13-3-4-18-12/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyPGBFQLOOASDVCF-UHFFFAOYSA-N
XLogP0.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108520614) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1CC(C)CN(C(=O)C(=O)NC2=NCCS2)C1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is PGBFQLOOASDVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-5-9(2)7-15(6-8)11(17)10(16)14-12-13-3-4-18-12/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 269.37 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108520614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).