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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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).