2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide

C8H11N5OS — CID 21232414

IUPAC2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1ncnc(N)n1
InChIInChI=1S/C8H11N5OS/c1-2-3-10-6(14)4-15-8-12-5-11-7(9)13-8/h2,5H,1,3-4H2,(H,10,14)(H2,9,11,12,13)
InChIKeyWIJZWEYLBMIKTD-UHFFFAOYSA-N
MW225.28 g/mol
LogP-0.15
Rot. Bonds5

About 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide (PubChem CID 21232414) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide
PubChem CID21232414
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1ncnc(N)n1
InChIInChI=1S/C8H11N5OS/c1-2-3-10-6(14)4-15-8-12-5-11-7(9)13-8/h2,5H,1,3-4H2,(H,10,14)(H2,9,11,12,13)
InChIKeyWIJZWEYLBMIKTD-UHFFFAOYSA-N
XLogP-0.15
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide (CID 21232414) is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide is C=CCNC(=O)CSc1ncnc(N)n1.
What is the InChIKey of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide?
The InChIKey is WIJZWEYLBMIKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-2-3-10-6(14)4-15-8-12-5-11-7(9)13-8/h2,5H,1,3-4H2,(H,10,14)(H2,9,11,12,13).
What are the key properties of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide?
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide has a molecular weight of 225.28 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 21232414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).