(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol

C16H14N2OS — CID 78951535

IUPAC(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol
SMILESC[C@H](O)c1ccc(Sc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H14N2OS/c1-11(19)12-6-8-13(9-7-12)20-16-14-4-2-3-5-15(14)17-10-18-16/h2-11,19H,1H3/t11-/m0/s1
InChIKeyPSYFLOZYVZENIJ-NSHDSACASA-N
MW282.37 g/mol
LogP3.83
Rot. Bonds3

About (1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol

(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol (PubChem CID 78951535) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is (1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol
PubChem CID78951535
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol
SMILESC[C@H](O)c1ccc(Sc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H14N2OS/c1-11(19)12-6-8-13(9-7-12)20-16-14-4-2-3-5-15(14)17-10-18-16/h2-11,19H,1H3/t11-/m0/s1
InChIKeyPSYFLOZYVZENIJ-NSHDSACASA-N
XLogP3.83
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol?
The IUPAC name of (1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol (CID 78951535) is (1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol is C[C@H](O)c1ccc(Sc2ncnc3ccccc23)cc1.
What is the InChIKey of (1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol?
The InChIKey is PSYFLOZYVZENIJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11(19)12-6-8-13(9-7-12)20-16-14-4-2-3-5-15(14)17-10-18-16/h2-11,19H,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol?
(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol has a molecular weight of 282.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 78951535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).