5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline

C15H12FN3S — CID 103591367

IUPAC5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline
SMILESCc1cc(Sc2ncnc3ccccc23)c(N)cc1F
InChIInChI=1S/C15H12FN3S/c1-9-6-14(12(17)7-11(9)16)20-15-10-4-2-3-5-13(10)18-8-19-15/h2-8H,17H2,1H3
InChIKeyCIITUBUGIRZVOF-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.81
Rot. Bonds2

About 5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline

5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline (PubChem CID 103591367) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline
PubChem CID103591367
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline
SMILESCc1cc(Sc2ncnc3ccccc23)c(N)cc1F
InChIInChI=1S/C15H12FN3S/c1-9-6-14(12(17)7-11(9)16)20-15-10-4-2-3-5-13(10)18-8-19-15/h2-8H,17H2,1H3
InChIKeyCIITUBUGIRZVOF-UHFFFAOYSA-N
XLogP3.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-quinazolin-4-ylsulfanylaniline
CID 60894209
5-bromo-2-quinazolin-4-ylsulfanylaniline
CID 60893837
(1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol
CID 78951779
(1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 63835579
1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanone
CID 60895654
3-fluoro-5-quinazolin-4-ylsulfanylaniline
CID 60894924
2-quinazolin-4-ylsulfanylphenol
CID 62026320
4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline
CID 114047896
(1S)-1-(3-bromo-4-quinazolin-4-ylsulfanylphenyl)ethanamine
CID 63370242
2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
6-fluoro-4-(2-fluorophenyl)sulfanylquinazoline
CID 133424999
5-amino-2-quinazolin-4-ylsulfanylbenzamide
CID 61306689

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline?
The IUPAC name of 5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline (CID 103591367) is 5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline.
What is the SMILES notation for 5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline?
The canonical SMILES for 5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline is Cc1cc(Sc2ncnc3ccccc23)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline?
The InChIKey is CIITUBUGIRZVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c1-9-6-14(12(17)7-11(9)16)20-15-10-4-2-3-5-13(10)18-8-19-15/h2-8H,17H2,1H3.
What are the key properties of 5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline?
5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline has a molecular weight of 285.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline is sourced from PubChem (CID 103591367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).