N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine

C19H12N2O2S2 — CID 1379405

IUPACN-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=N/c3cccc4ccccc34)s2)s1
InChIInChI=1S/C19H12N2O2S2/c22-21(23)19-11-10-18(25-19)17-9-8-14(24-17)12-20-16-7-3-5-13-4-1-2-6-15(13)16/h1-12H/b20-12+
InChIKeyYEXAYEYPENOIAU-UDWIEESQSA-N
MW364.45 g/mol
LogP6.29
Rot. Bonds4

About N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine

N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine (PubChem CID 1379405) has the molecular formula C19H12N2O2S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine
PubChem CID1379405
Molecular FormulaC19H12N2O2S2
Molecular Weight364.45 g/mol
Exact Mass364.03
IUPAC NameN-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine
SMILESO=[N+]([O-])c1ccc(-c2ccc(/C=N/c3cccc4ccccc34)s2)s1
InChIInChI=1S/C19H12N2O2S2/c22-21(23)19-11-10-18(25-19)17-9-8-14(24-17)12-20-16-7-3-5-13-4-1-2-6-15(13)16/h1-12H/b20-12+
InChIKeyYEXAYEYPENOIAU-UDWIEESQSA-N
XLogP6.29
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine?
The IUPAC name of N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine (CID 1379405) is N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine.
What is the SMILES notation for N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine?
The canonical SMILES for N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine is O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3cccc4ccccc34)s2)s1.
What is the InChIKey of N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine?
The InChIKey is YEXAYEYPENOIAU-UDWIEESQSA-N. The full InChI is InChI=1S/C19H12N2O2S2/c22-21(23)19-11-10-18(25-19)17-9-8-14(24-17)12-20-16-7-3-5-13-4-1-2-6-15(13)16/h1-12H/b20-12+.
What are the key properties of N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine?
N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine has a molecular weight of 364.45 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]methanimine is sourced from PubChem (CID 1379405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).