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

C11H17N3O2S — CID 108523407

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCCN1C(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C11H17N3O2S/c1-8-4-2-3-6-14(8)10(16)9(15)13-11-12-5-7-17-11/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyLEKIOWXITSLMSO-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.61
Rot. Bonds

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108523407) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108523407
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCCN1C(=O)C(=O)NC1=NCCS1
InChIInChI=1S/C11H17N3O2S/c1-8-4-2-3-6-14(8)10(16)9(15)13-11-12-5-7-17-11/h8H,2-7H2,1H3,(H,12,13,15)
InChIKeyLEKIOWXITSLMSO-UHFFFAOYSA-N
XLogP0.61
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.61
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

2-(2-methylpiperidin-1-yl)-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382926
N-(2,5-dimethylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336445
2-acetamido-2-cyclopentyl-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 75413441
N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523374
2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375
methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride
CID 131850093
N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523458
N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108505442
N-(2-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523411
dimethyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108523341
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
2-methyl-1-[(2S)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 89291831

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide (CID 108523407) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide is CC1CCCCN1C(=O)C(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is LEKIOWXITSLMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-4-2-3-6-14(8)10(16)9(15)13-11-12-5-7-17-11/h8H,2-7H2,1H3,(H,12,13,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 255.34 g/mol, XLogP of 0.61, 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-(2-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108523407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).