4-(4-fluoroanilino)-1H-quinazoline-2-thione

C14H10FN3S — CID 3469309

IUPAC4-(4-fluoroanilino)-1H-quinazoline-2-thione
SMILESFc1ccc(Nc2nc(=S)[nH]c3ccccc23)cc1
InChIInChI=1S/C14H10FN3S/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(19)18-13/h1-8H,(H2,16,17,18,19)
InChIKeyPJHDVVYFHJDGML-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.18
Rot. Bonds2

About 4-(4-fluoroanilino)-1H-quinazoline-2-thione

4-(4-fluoroanilino)-1H-quinazoline-2-thione (PubChem CID 3469309) has the molecular formula C14H10FN3S and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-1H-quinazoline-2-thione.

Molecular Properties

Compound Name4-(4-fluoroanilino)-1H-quinazoline-2-thione
PubChem CID3469309
Molecular FormulaC14H10FN3S
Molecular Weight271.32 g/mol
Exact Mass271.06
IUPAC Name4-(4-fluoroanilino)-1H-quinazoline-2-thione
SMILESFc1ccc(Nc2nc(=S)[nH]c3ccccc23)cc1
InChIInChI=1S/C14H10FN3S/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(19)18-13/h1-8H,(H2,16,17,18,19)
InChIKeyPJHDVVYFHJDGML-UHFFFAOYSA-N
XLogP4.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenoxyanilino)-1H-quinazoline-2-thione
CID 15994953
4-(3,5-dichloroanilino)-1H-quinazoline-2-thione
CID 3487740
4-(naphthalen-1-ylamino)-1H-quinazoline-2-thione
CID 2755103
4-[(4-methylcyclohexyl)amino]-1H-quinazoline-2-thione
CID 3469291
4-(pyridin-2-ylmethylamino)-1H-quinazoline-2-thione
CID 18592732
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
N-(4-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80928190
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
N-(4-fluorophenyl)-1,2,3-benzotriazin-4-amine
CID 67301334
4-(3,4-dimethoxyanilino)-6,7-dimethoxy-1H-quinazoline-2-thione
CID 15994903
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
4-(3-piperidin-1-ylpropylamino)-1H-quinazoline-2-thione
CID 119103709

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-1H-quinazoline-2-thione?
The IUPAC name of 4-(4-fluoroanilino)-1H-quinazoline-2-thione (CID 3469309) is 4-(4-fluoroanilino)-1H-quinazoline-2-thione.
What is the SMILES notation for 4-(4-fluoroanilino)-1H-quinazoline-2-thione?
The canonical SMILES for 4-(4-fluoroanilino)-1H-quinazoline-2-thione is Fc1ccc(Nc2nc(=S)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(4-fluoroanilino)-1H-quinazoline-2-thione?
The InChIKey is PJHDVVYFHJDGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3S/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(19)18-13/h1-8H,(H2,16,17,18,19).
What are the key properties of 4-(4-fluoroanilino)-1H-quinazoline-2-thione?
4-(4-fluoroanilino)-1H-quinazoline-2-thione has a molecular weight of 271.32 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-1H-quinazoline-2-thione is sourced from PubChem (CID 3469309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).