4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C12H10N4OS — CID 78909353

IUPAC4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C12H10N4OS/c1-18-12-15-10(14-11(13)16-12)9-6-7-4-2-3-5-8(7)17-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyQLYHERZUJHNMPB-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.59
Rot. Bonds2

About 4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 78909353) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID78909353
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C12H10N4OS/c1-18-12-15-10(14-11(13)16-12)9-6-7-4-2-3-5-8(7)17-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyQLYHERZUJHNMPB-UHFFFAOYSA-N
XLogP2.59
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 666284
N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-phenylacetamide
CID 46885403
4-(1-benzofuran-2-yl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 118986961
N-[2-(furan-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 46885404
s-Triazine, 2-(benzofuran-2-yl)-4,6-diamino-
CID 3057067
6-(1-benzofuran-2-yl)-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 935603
4-Benzyl-6-(furan-2-yl)-1,3,5-triazin-2-amine
CID 129770327
3-(1-benzofuran-2-yl)-5-[(4-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
CID 3970163
2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 15022790
N~2~-[1-(1-Benzofuran-2-yl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 15022793
2-N-[1-(1-benzofuran-2-yl)ethyl]-6-(1-fluorocyclopent-3-en-1-yl)-1,3,5-triazine-2,4-diamine
CID 139893765
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 16495780

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 78909353) is 4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is QLYHERZUJHNMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-18-12-15-10(14-11(13)16-12)9-6-7-4-2-3-5-8(7)17-9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 258.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 78909353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).