N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide

C12H10F2N4O3S2 — CID 2375221

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C12H10F2N4O3S2/c13-11(14)23-7-3-1-6(2-4-7)15-8(19)5-22-10-9(20)16-12(21)18-17-10/h1-4,11H,5H2,(H,15,19)(H2,16,18,20,21)
InChIKeyWVTFVLSWPQIMHW-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.50
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide (PubChem CID 2375221) has the molecular formula C12H10F2N4O3S2 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
PubChem CID2375221
Molecular FormulaC12H10F2N4O3S2
Molecular Weight360.37 g/mol
Exact Mass360.02
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C12H10F2N4O3S2/c13-11(14)23-7-3-1-6(2-4-7)15-8(19)5-22-10-9(20)16-12(21)18-17-10/h1-4,11H,5H2,(H,15,19)(H2,16,18,20,21)
InChIKeyWVTFVLSWPQIMHW-UHFFFAOYSA-N
XLogP1.50
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide (CID 2375221) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide is O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide?
The InChIKey is WVTFVLSWPQIMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O3S2/c13-11(14)23-7-3-1-6(2-4-7)15-8(19)5-22-10-9(20)16-12(21)18-17-10/h1-4,11H,5H2,(H,15,19)(H2,16,18,20,21).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide has a molecular weight of 360.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 2375221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).