N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide

C7H9N5O2S — CID 4081564

IUPACN-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide
SMILESCC(=O)Nc1nc(=S)nc(NC(C)=O)[nH]1
InChIInChI=1S/C7H9N5O2S/c1-3(13)8-5-10-6(9-4(2)14)12-7(15)11-5/h1-2H3,(H3,8,9,10,11,12,13,14,15)
InChIKeyNNJWKZRJELRPIU-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.45
Rot. Bonds2

About N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide

N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide (PubChem CID 4081564) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide
PubChem CID4081564
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC NameN-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide
SMILESCC(=O)Nc1nc(=S)nc(NC(C)=O)[nH]1
InChIInChI=1S/C7H9N5O2S/c1-3(13)8-5-10-6(9-4(2)14)12-7(15)11-5/h1-2H3,(H3,8,9,10,11,12,13,14,15)
InChIKeyNNJWKZRJELRPIU-UHFFFAOYSA-N
XLogP0.45
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide?
The IUPAC name of N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide (CID 4081564) is N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide.
What is the SMILES notation for N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide?
The canonical SMILES for N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide is CC(=O)Nc1nc(=S)nc(NC(C)=O)[nH]1.
What is the InChIKey of N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide?
The InChIKey is NNJWKZRJELRPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-3(13)8-5-10-6(9-4(2)14)12-7(15)11-5/h1-2H3,(H3,8,9,10,11,12,13,14,15).
What are the key properties of N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide?
N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide has a molecular weight of 227.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-4-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide is sourced from PubChem (CID 4081564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).