1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine

C16H12N2S2 — CID 968619

IUPAC1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine
SMILESC(=N/c1ccc(/N=C/c2cccs2)cc1)\c1cccs1
InChIInChI=1S/C16H12N2S2/c1-3-15(19-9-1)11-17-13-5-7-14(8-6-13)18-12-16-4-2-10-20-16/h1-12H/b17-11+,18-12+
InChIKeyCVNPKIOJKWDPBA-JYFOCSDGSA-N
MW296.42 g/mol
LogP5.31
Rot. Bonds4

About 1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine

1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine (PubChem CID 968619) has the molecular formula C16H12N2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine
PubChem CID968619
Molecular FormulaC16H12N2S2
Molecular Weight296.42 g/mol
Exact Mass296.04
IUPAC Name1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine
SMILESC(=N/c1ccc(/N=C/c2cccs2)cc1)\c1cccs1
InChIInChI=1S/C16H12N2S2/c1-3-15(19-9-1)11-17-13-5-7-14(8-6-13)18-12-16-4-2-10-20-16/h1-12H/b17-11+,18-12+
InChIKeyCVNPKIOJKWDPBA-JYFOCSDGSA-N
XLogP5.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.42
LogP ≤ 55.31
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-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine?
The IUPAC name of 1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine (CID 968619) is 1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine.
What is the SMILES notation for 1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine?
The canonical SMILES for 1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine is C(=N/c1ccc(/N=C/c2cccs2)cc1)\c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine?
The InChIKey is CVNPKIOJKWDPBA-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H12N2S2/c1-3-15(19-9-1)11-17-13-5-7-14(8-6-13)18-12-16-4-2-10-20-16/h1-12H/b17-11+,18-12+.
What are the key properties of 1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine?
1-thiophen-2-yl-N-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine has a molecular weight of 296.42 g/mol, XLogP of 5.31, 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-[4-(thiophen-2-ylmethylideneamino)phenyl]methanimine is sourced from PubChem (CID 968619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).