(1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol

C16H13FN2OS — CID 78951779

IUPAC(1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol
SMILESC[C@H](O)c1c(F)cccc1Sc1ncnc2ccccc12
InChIInChI=1S/C16H13FN2OS/c1-10(20)15-12(17)6-4-8-14(15)21-16-11-5-2-3-7-13(11)18-9-19-16/h2-10,20H,1H3/t10-/m0/s1
InChIKeyLBFFMNDAUPHTJZ-JTQLQIEISA-N
MW300.36 g/mol
LogP3.97
Rot. Bonds3

About (1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol

(1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol (PubChem CID 78951779) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol
PubChem CID78951779
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name(1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol
SMILESC[C@H](O)c1c(F)cccc1Sc1ncnc2ccccc12
InChIInChI=1S/C16H13FN2OS/c1-10(20)15-12(17)6-4-8-14(15)21-16-11-5-2-3-7-13(11)18-9-19-16/h2-10,20H,1H3/t10-/m0/s1
InChIKeyLBFFMNDAUPHTJZ-JTQLQIEISA-N
XLogP3.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol?
The IUPAC name of (1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol (CID 78951779) is (1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol is C[C@H](O)c1c(F)cccc1Sc1ncnc2ccccc12.
What is the InChIKey of (1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol?
The InChIKey is LBFFMNDAUPHTJZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-10(20)15-12(17)6-4-8-14(15)21-16-11-5-2-3-7-13(11)18-9-19-16/h2-10,20H,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol?
(1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol has a molecular weight of 300.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 78951779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).