2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione

C9H7FN4S — CID 115279054

IUPAC2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C9H7FN4S/c10-6-3-1-2-5(4-6)7-12-8(11)14-9(15)13-7/h1-4H,(H3,11,12,13,14,15)
InChIKeyGBWZVWRNHODERE-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.92
Rot. Bonds1

About 2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione

2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione (PubChem CID 115279054) has the molecular formula C9H7FN4S and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione
PubChem CID115279054
Molecular FormulaC9H7FN4S
Molecular Weight222.25 g/mol
Exact Mass222.04
IUPAC Name2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C9H7FN4S/c10-6-3-1-2-5(4-6)7-12-8(11)14-9(15)13-7/h1-4H,(H3,11,12,13,14,15)
InChIKeyGBWZVWRNHODERE-UHFFFAOYSA-N
XLogP1.92
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.92
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

3-(6-amino-4-sulfanylidene-1H-1,3,5-triazin-2-yl)benzonitrile
CID 115279085
2-amino-6-(5-fluoro-2-methylphenyl)-1H-1,3,5-triazine-4-thione
CID 83241656
2-amino-6-(4-ethylphenyl)-1H-1,3,5-triazine-4-thione
CID 115279072
6-ethyl-2-(3-fluorophenyl)-1H-pyrimidine-4-thione
CID 94076931
6-cyclopropyl-2-(3-fluorophenyl)-1H-pyrimidine-4-thione
CID 106478359
5-ethyl-2-(3-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione
CID 94076936
2-amino-6-(6-methyl-2-pyridinyl)-1H-1,3,5-triazine-4-thione
CID 83241208
2-amino-6-(5-methylfuran-3-yl)-1H-1,3,5-triazine-4-thione
CID 114824060
2-amino-6-(5-methylthiophen-3-yl)-1H-1,3,5-triazine-4-thione
CID 130835298
4,6-difluoro-2-(3-fluorophenyl)-1H-benzimidazole
CID 81462567
5-bromo-2-(3-fluorophenyl)-6-propyl-1H-pyrimidine-4-thione
CID 106479256
5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione
CID 106480791

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione (CID 115279054) is 2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione?
The InChIKey is GBWZVWRNHODERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4S/c10-6-3-1-2-5(4-6)7-12-8(11)14-9(15)13-7/h1-4H,(H3,11,12,13,14,15).
What are the key properties of 2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione has a molecular weight of 222.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-fluorophenyl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 115279054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).