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

C20H14N2S2 — CID 681231

IUPAC1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine
SMILESC(=N/c1cccc2c(/N=C/c3cccs3)cccc12)\c1cccs1
InChIInChI=1S/C20H14N2S2/c1-7-17-18(19(9-1)21-13-15-5-3-11-23-15)8-2-10-20(17)22-14-16-6-4-12-24-16/h1-14H/b21-13+,22-14+
InChIKeyWHOFHRYOTYNCSS-JFMUQQRKSA-N
MW346.48 g/mol
LogP6.46
Rot. Bonds4

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

1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine (PubChem CID 681231) has the molecular formula C20H14N2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine
PubChem CID681231
Molecular FormulaC20H14N2S2
Molecular Weight346.48 g/mol
Exact Mass346.06
IUPAC Name1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine
SMILESC(=N/c1cccc2c(/N=C/c3cccs3)cccc12)\c1cccs1
InChIInChI=1S/C20H14N2S2/c1-7-17-18(19(9-1)21-13-15-5-3-11-23-15)8-2-10-20(17)22-14-16-6-4-12-24-16/h1-14H/b21-13+,22-14+
InChIKeyWHOFHRYOTYNCSS-JFMUQQRKSA-N
XLogP6.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine?
The IUPAC name of 1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine (CID 681231) is 1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine.
What is the SMILES notation for 1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine?
The canonical SMILES for 1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine is C(=N/c1cccc2c(/N=C/c3cccs3)cccc12)\c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine?
The InChIKey is WHOFHRYOTYNCSS-JFMUQQRKSA-N. The full InChI is InChI=1S/C20H14N2S2/c1-7-17-18(19(9-1)21-13-15-5-3-11-23-15)8-2-10-20(17)22-14-16-6-4-12-24-16/h1-14H/b21-13+,22-14+.
What are the key properties of 1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine?
1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine has a molecular weight of 346.48 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[5-(thiophen-2-ylmethylideneamino)naphthalen-1-yl]methanimine is sourced from PubChem (CID 681231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).