N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine

C17H14N2O2S — CID 684146

IUPACN-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(Sc3ccccn3)o2)cc1
InChIInChI=1S/C17H14N2O2S/c1-20-14-7-5-13(6-8-14)19-12-15-9-10-17(21-15)22-16-4-2-3-11-18-16/h2-12H,1H3/b19-12+
InChIKeyXTBZFBXWMPVKAM-XDHOZWIPSA-N
MW310.38 g/mol
LogP4.59
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine

N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine (PubChem CID 684146) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine
PubChem CID684146
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC NameN-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(Sc3ccccn3)o2)cc1
InChIInChI=1S/C17H14N2O2S/c1-20-14-7-5-13(6-8-14)19-12-15-9-10-17(21-15)22-16-4-2-3-11-18-16/h2-12H,1H3/b19-12+
InChIKeyXTBZFBXWMPVKAM-XDHOZWIPSA-N
XLogP4.59
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 9552493
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine?
The IUPAC name of N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine (CID 684146) is N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine?
The canonical SMILES for N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine is COc1ccc(/N=C/c2ccc(Sc3ccccn3)o2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine?
The InChIKey is XTBZFBXWMPVKAM-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-20-14-7-5-13(6-8-14)19-12-15-9-10-17(21-15)22-16-4-2-3-11-18-16/h2-12H,1H3/b19-12+.
What are the key properties of N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine?
N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine has a molecular weight of 310.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)methanimine is sourced from PubChem (CID 684146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).