6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione

C10H10N4OS2 — CID 54351185

IUPAC6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione
SMILESCOc1ccc(Nc2nc(=S)[nH]c(=S)[nH]2)cc1
InChIInChI=1S/C10H10N4OS2/c1-15-7-4-2-6(3-5-7)11-8-12-9(16)14-10(17)13-8/h2-5H,1H3,(H3,11,12,13,14,16,17)
InChIKeyUFWRRZLOCILKCO-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.95
Rot. Bonds3

About 6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione

6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione (PubChem CID 54351185) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Name6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione
PubChem CID54351185
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione
SMILESCOc1ccc(Nc2nc(=S)[nH]c(=S)[nH]2)cc1
InChIInChI=1S/C10H10N4OS2/c1-15-7-4-2-6(3-5-7)11-8-12-9(16)14-10(17)13-8/h2-5H,1H3,(H3,11,12,13,14,16,17)
InChIKeyUFWRRZLOCILKCO-UHFFFAOYSA-N
XLogP2.95
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-methoxyanilino)-3H-benzimidazol-5-yl]-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 14666426
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
2-(4-methoxyanilino)-4-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135491607
6-(4-methoxyanilino)-4-(4-nitroanilino)-1H-1,3,5-triazin-2-one
CID 135489919
2-(4-methoxyanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136778650
2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 66587024
2-(4-chloroanilino)-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 135682172
2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215
6-anilino-4-methylsulfanyl-1H-1,3,5-triazine-2-thione
CID 146408285
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
2-(4-methoxyanilino)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 135422401
N-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 90956570

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of 6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione (CID 54351185) is 6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for 6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for 6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione is COc1ccc(Nc2nc(=S)[nH]c(=S)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is UFWRRZLOCILKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-15-7-4-2-6(3-5-7)11-8-12-9(16)14-10(17)13-8/h2-5H,1H3,(H3,11,12,13,14,16,17).
What are the key properties of 6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione?
6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 266.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyanilino)-1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 54351185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).