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

C5H6N4OS — CID 71669906

IUPACN-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide
SMILESCC(=O)Nc1ncnc(=S)[nH]1
InChIInChI=1S/C5H6N4OS/c1-3(10)8-4-6-2-7-5(11)9-4/h2H,1H3,(H2,6,7,8,9,10,11)
InChIKeyQHYKURUNIHHXLV-UHFFFAOYSA-N
MW170.20 g/mol
LogP0.49
Rot. Bonds1

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

N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide (PubChem CID 71669906) has the molecular formula C5H6N4OS and a molecular weight of 170.20 g/mol. Its IUPAC name is N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide
PubChem CID71669906
Molecular FormulaC5H6N4OS
Molecular Weight170.20 g/mol
Exact Mass170.03
IUPAC NameN-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide
SMILESCC(=O)Nc1ncnc(=S)[nH]1
InChIInChI=1S/C5H6N4OS/c1-3(10)8-4-6-2-7-5(11)9-4/h2H,1H3,(H2,6,7,8,9,10,11)
InChIKeyQHYKURUNIHHXLV-UHFFFAOYSA-N
XLogP0.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6,6-dimethyl-2-sulfanylidene-1,3-dihydro-1,3,5-triazin-4-yl)acetamide
CID 21163555
N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]acetamide
CID 21423087
N-(6-oxo-1H-1,3,5-triazin-2-yl)acetamide
CID 23116836
acetamide;1H-1,3,5-triazine-2,4-dithione
CID 158321870
N-(N'-carbamothioylcarbamimidoyl)acetamide
CID 173925419
N-[6-(acetylamino)-4-sulfanyl-1,3,5-triazin-2-yl]acetamide
CID 4081564

Frequently Asked Questions

What is the IUPAC name of N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide?
The IUPAC name of N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide (CID 71669906) is N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide.
What is the SMILES notation for N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide?
The canonical SMILES for N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide is CC(=O)Nc1ncnc(=S)[nH]1.
What is the InChIKey of N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide?
The InChIKey is QHYKURUNIHHXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4OS/c1-3(10)8-4-6-2-7-5(11)9-4/h2H,1H3,(H2,6,7,8,9,10,11).
What are the key properties of N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide?
N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide has a molecular weight of 170.20 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-sulfanylidene-1H-1,3,5-triazin-2-yl)acetamide is sourced from PubChem (CID 71669906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).