4-[(4-fluorophenyl)methylsulfanyl]quinazoline

C15H11FN2S — CID 6710525

IUPAC4-[(4-fluorophenyl)methylsulfanyl]quinazoline
SMILESFc1ccc(CSc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H11FN2S/c16-12-7-5-11(6-8-12)9-19-15-13-3-1-2-4-14(13)17-10-18-15/h1-8,10H,9H2
InChIKeySSGAZDFIYFJSCX-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.06
Rot. Bonds3

About 4-[(4-fluorophenyl)methylsulfanyl]quinazoline

4-[(4-fluorophenyl)methylsulfanyl]quinazoline (PubChem CID 6710525) has the molecular formula C15H11FN2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfanyl]quinazoline.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfanyl]quinazoline
PubChem CID6710525
Molecular FormulaC15H11FN2S
Molecular Weight270.33 g/mol
Exact Mass270.06
IUPAC Name4-[(4-fluorophenyl)methylsulfanyl]quinazoline
SMILESFc1ccc(CSc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H11FN2S/c16-12-7-5-11(6-8-12)9-19-15-13-3-1-2-4-14(13)17-10-18-15/h1-8,10H,9H2
InChIKeySSGAZDFIYFJSCX-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfanyl]quinazoline?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfanyl]quinazoline (CID 6710525) is 4-[(4-fluorophenyl)methylsulfanyl]quinazoline.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfanyl]quinazoline?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfanyl]quinazoline is Fc1ccc(CSc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfanyl]quinazoline?
The InChIKey is SSGAZDFIYFJSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S/c16-12-7-5-11(6-8-12)9-19-15-13-3-1-2-4-14(13)17-10-18-15/h1-8,10H,9H2.
What are the key properties of 4-[(4-fluorophenyl)methylsulfanyl]quinazoline?
4-[(4-fluorophenyl)methylsulfanyl]quinazoline has a molecular weight of 270.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfanyl]quinazoline is sourced from PubChem (CID 6710525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).