3-fluoro-5-quinazolin-4-ylsulfanylaniline

C14H10FN3S — CID 60894924

IUPAC3-fluoro-5-quinazolin-4-ylsulfanylaniline
SMILESNc1cc(F)cc(Sc2ncnc3ccccc23)c1
InChIInChI=1S/C14H10FN3S/c15-9-5-10(16)7-11(6-9)19-14-12-3-1-2-4-13(12)17-8-18-14/h1-8H,16H2
InChIKeyFGPMEILQFABWMB-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.50
Rot. Bonds2

About 3-fluoro-5-quinazolin-4-ylsulfanylaniline

3-fluoro-5-quinazolin-4-ylsulfanylaniline (PubChem CID 60894924) has the molecular formula C14H10FN3S and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-fluoro-5-quinazolin-4-ylsulfanylaniline.

Molecular Properties

Compound Name3-fluoro-5-quinazolin-4-ylsulfanylaniline
PubChem CID60894924
Molecular FormulaC14H10FN3S
Molecular Weight271.32 g/mol
Exact Mass271.06
IUPAC Name3-fluoro-5-quinazolin-4-ylsulfanylaniline
SMILESNc1cc(F)cc(Sc2ncnc3ccccc23)c1
InChIInChI=1S/C14H10FN3S/c15-9-5-10(16)7-11(6-9)19-14-12-3-1-2-4-13(12)17-8-18-14/h1-8H,16H2
InChIKeyFGPMEILQFABWMB-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.50
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

2-quinazolin-4-ylsulfanylpyrimidin-5-amine
CID 61145477
4-(4-fluorophenyl)sulfanylquinazolin-6-amine
CID 64588532
6-fluoro-4-(3-fluorophenyl)sulfanylquinazoline
CID 133429642
(3-quinazolin-4-ylsulfanylphenyl)methanamine
CID 102818709
5-fluoro-4-methyl-2-quinazolin-4-ylsulfanylaniline
CID 103591367
(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine
CID 115490289
4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline
CID 114047896
5-methyl-2-quinazolin-4-ylsulfanylaniline
CID 60894209
5-bromo-2-quinazolin-4-ylsulfanylaniline
CID 60893837
5-amino-2-quinazolin-4-ylsulfanylbenzamide
CID 61306689
N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide
CID 60894211
2-quinazolin-4-ylsulfanylphenol
CID 62026320

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-quinazolin-4-ylsulfanylaniline?
The IUPAC name of 3-fluoro-5-quinazolin-4-ylsulfanylaniline (CID 60894924) is 3-fluoro-5-quinazolin-4-ylsulfanylaniline.
What is the SMILES notation for 3-fluoro-5-quinazolin-4-ylsulfanylaniline?
The canonical SMILES for 3-fluoro-5-quinazolin-4-ylsulfanylaniline is Nc1cc(F)cc(Sc2ncnc3ccccc23)c1.
What is the InChIKey of 3-fluoro-5-quinazolin-4-ylsulfanylaniline?
The InChIKey is FGPMEILQFABWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3S/c15-9-5-10(16)7-11(6-9)19-14-12-3-1-2-4-13(12)17-8-18-14/h1-8H,16H2.
What are the key properties of 3-fluoro-5-quinazolin-4-ylsulfanylaniline?
3-fluoro-5-quinazolin-4-ylsulfanylaniline has a molecular weight of 271.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-quinazolin-4-ylsulfanylaniline is sourced from PubChem (CID 60894924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).