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

C9H11N3OS — CID 82113206

IUPACN-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide
SMILESCC(=O)NC(C(N)=S)c1ccncc1
InChIInChI=1S/C9H11N3OS/c1-6(13)12-8(9(10)14)7-2-4-11-5-3-7/h2-5,8H,1H3,(H2,10,14)(H,12,13)
InChIKeyCGCRAUWINRAYFX-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.54
Rot. Bonds3

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

N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide (PubChem CID 82113206) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide
PubChem CID82113206
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide
SMILESCC(=O)NC(C(N)=S)c1ccncc1
InChIInChI=1S/C9H11N3OS/c1-6(13)12-8(9(10)14)7-2-4-11-5-3-7/h2-5,8H,1H3,(H2,10,14)(H,12,13)
InChIKeyCGCRAUWINRAYFX-UHFFFAOYSA-N
XLogP0.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide?
The IUPAC name of N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide (CID 82113206) is N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide.
What is the SMILES notation for N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide?
The canonical SMILES for N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide is CC(=O)NC(C(N)=S)c1ccncc1.
What is the InChIKey of N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide?
The InChIKey is CGCRAUWINRAYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6(13)12-8(9(10)14)7-2-4-11-5-3-7/h2-5,8H,1H3,(H2,10,14)(H,12,13).
What are the key properties of N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide?
N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide has a molecular weight of 209.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-pyridin-4-yl-2-sulfanylideneethyl)acetamide is sourced from PubChem (CID 82113206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).