6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine

C17H18FN3S — CID 129312146

IUPAC6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESFc1ccc(CN2CN=C(SCc3ccccc3)NC2)cc1
InChIInChI=1S/C17H18FN3S/c18-16-8-6-14(7-9-16)10-21-12-19-17(20-13-21)22-11-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20)
InChIKeyJZNHYABWMPFZBH-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.44
Rot. Bonds4

About 6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine

6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 129312146) has the molecular formula C17H18FN3S and a molecular weight of 315.42 g/mol. Its IUPAC name is 6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine
PubChem CID129312146
Molecular FormulaC17H18FN3S
Molecular Weight315.42 g/mol
Exact Mass315.12
IUPAC Name6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESFc1ccc(CN2CN=C(SCc3ccccc3)NC2)cc1
InChIInChI=1S/C17H18FN3S/c18-16-8-6-14(7-9-16)10-21-12-19-17(20-13-21)22-11-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20)
InChIKeyJZNHYABWMPFZBH-UHFFFAOYSA-N
XLogP3.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine (CID 129312146) is 6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine is Fc1ccc(CN2CN=C(SCc3ccccc3)NC2)cc1.
What is the InChIKey of 6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is JZNHYABWMPFZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3S/c18-16-8-6-14(7-9-16)10-21-12-19-17(20-13-21)22-11-15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,20).
What are the key properties of 6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine?
6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 315.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzylsulfanyl-3-[(4-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 129312146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).