[4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine

C14H10F2N4S — CID 80924343

IUPAC[4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine
SMILESNNc1nc(Sc2ccc(F)cc2F)c2ccccc2n1
InChIInChI=1S/C14H10F2N4S/c15-8-5-6-12(10(16)7-8)21-13-9-3-1-2-4-11(9)18-14(19-13)20-17/h1-7H,17H2,(H,18,19,20)
InChIKeyUJQGMIAVPRNIFX-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.34
Rot. Bonds3

About [4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine

[4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine (PubChem CID 80924343) has the molecular formula C14H10F2N4S and a molecular weight of 304.33 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine
PubChem CID80924343
Molecular FormulaC14H10F2N4S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name[4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine
SMILESNNc1nc(Sc2ccc(F)cc2F)c2ccccc2n1
InChIInChI=1S/C14H10F2N4S/c15-8-5-6-12(10(16)7-8)21-13-9-3-1-2-4-11(9)18-14(19-13)20-17/h1-7H,17H2,(H,18,19,20)
InChIKeyUJQGMIAVPRNIFX-UHFFFAOYSA-N
XLogP3.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2,4-difluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336488
(4-pyrimidin-2-ylsulfanylquinazolin-2-yl)hydrazine
CID 80924768
N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine
CID 80873489
N-(4-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80928190
[4-(2,5-difluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336545
N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine
CID 80869962
[2-(2,4-difluorophenyl)quinazolin-4-yl]hydrazine
CID 62241786
[6-(2,4-difluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000644
[4-(2-fluoro-5-methylphenoxy)quinazolin-2-yl]hydrazine
CID 80925069
6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine
CID 156536311
2-hydrazinyl-N-(3-methylbutan-2-yl)quinazolin-4-amine
CID 80916847
2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 5218637

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine?
The IUPAC name of [4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine (CID 80924343) is [4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine?
The canonical SMILES for [4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine is NNc1nc(Sc2ccc(F)cc2F)c2ccccc2n1.
What is the InChIKey of [4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine?
The InChIKey is UJQGMIAVPRNIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4S/c15-8-5-6-12(10(16)7-8)21-13-9-3-1-2-4-11(9)18-14(19-13)20-17/h1-7H,17H2,(H,18,19,20).
What are the key properties of [4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine?
[4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine has a molecular weight of 304.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine is sourced from PubChem (CID 80924343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).