N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C13H17N5O2S — CID 43316315

IUPACN-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESNC(=S)CNC(=O)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H17N5O2S/c14-10(21)9-16-12(19)13(20)18-7-5-17(6-8-18)11-3-1-2-4-15-11/h1-4H,5-9H2,(H2,14,21)(H,16,19)
InChIKeyGELWXGQMFVFFPL-UHFFFAOYSA-N
MW307.38 g/mol
LogP-0.87
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 43316315) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID43316315
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESNC(=S)CNC(=O)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H17N5O2S/c14-10(21)9-16-12(19)13(20)18-7-5-17(6-8-18)11-3-1-2-4-15-11/h1-4H,5-9H2,(H2,14,21)(H,16,19)
InChIKeyGELWXGQMFVFFPL-UHFFFAOYSA-N
XLogP-0.87
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
N-[(2-fluorophenyl)methyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108531549
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108984169
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673
N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108532324
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 43316315) is N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is NC(=S)CNC(=O)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is GELWXGQMFVFFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c14-10(21)9-16-12(19)13(20)18-7-5-17(6-8-18)11-3-1-2-4-15-11/h1-4H,5-9H2,(H2,14,21)(H,16,19).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 43316315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).