[[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite

C26H20F2N4OS — CID 163252007

IUPAC[[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite
SMILES[H]/N=C(\c1cc(F)ccc1OC)c1ccc(N=C(c2ccccc2)c2ccccc2)nc1NSF
InChIInChI=1S/C26H20F2N4OS/c1-33-22-14-12-19(27)16-21(22)24(29)20-13-15-23(31-26(20)32-34-28)30-25(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,29H,1H3,(H,31,32)/b29-24-
InChIKeyLSGXLOJCRAEBQQ-OLFWJLLRSA-N
MW474.54 g/mol
LogP6.76
Rot. Bonds8

About [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite

[[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite (PubChem CID 163252007) has the molecular formula C26H20F2N4OS and a molecular weight of 474.54 g/mol. Its IUPAC name is [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite.

Molecular Properties

Compound Name[[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite
PubChem CID163252007
Molecular FormulaC26H20F2N4OS
Molecular Weight474.54 g/mol
Exact Mass474.13
IUPAC Name[[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite
SMILES[H]/N=C(\c1cc(F)ccc1OC)c1ccc(N=C(c2ccccc2)c2ccccc2)nc1NSF
InChIInChI=1S/C26H20F2N4OS/c1-33-22-14-12-19(27)16-21(22)24(29)20-13-15-23(31-26(20)32-34-28)30-25(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,29H,1H3,(H,31,32)/b29-24-
InChIKeyLSGXLOJCRAEBQQ-OLFWJLLRSA-N
XLogP6.76
TPSA70.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.54
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite with MolForge

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
1-(5-fluoro-2-methoxyphenyl)-3-phenylprop-2-yn-1-one
CID 11673282
(NE)-N-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate
CID 82282026
(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671
5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
N-[5-methoxy-6-[1-(trifluoromethyl)cyclopropyl]pyridazin-3-yl]-1,1-diphenylmethanimine
CID 164537120
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
[6-(benzhydrylideneamino)-3-(2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163251900
6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine
CID 64981420
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
2-(2-methoxybenzenecarboximidoyl)benzene-1,4-diamine
CID 155481805

Frequently Asked Questions

What is the IUPAC name of [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite?
The IUPAC name of [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite (CID 163252007) is [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite.
What is the SMILES notation for [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite?
The canonical SMILES for [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite is [H]/N=C(\c1cc(F)ccc1OC)c1ccc(N=C(c2ccccc2)c2ccccc2)nc1NSF.
What is the InChIKey of [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite?
The InChIKey is LSGXLOJCRAEBQQ-OLFWJLLRSA-N. The full InChI is InChI=1S/C26H20F2N4OS/c1-33-22-14-12-19(27)16-21(22)24(29)20-13-15-23(31-26(20)32-34-28)30-25(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,29H,1H3,(H,31,32)/b29-24-.
What are the key properties of [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite?
[[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite has a molecular weight of 474.54 g/mol, XLogP of 6.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-(benzhydrylideneamino)-3-(5-fluoro-2-methoxybenzenecarboximidoyl)-2-pyridinyl]amino] thiohypofluorite is sourced from PubChem (CID 163252007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).