(E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine

C18H22N4O2S2 — CID 6902229

IUPAC(E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine
SMILESC(=N/N=C/c1ccc(N2CCOCC2)s1)\c1ccc(N2CCOCC2)s1
InChIInChI=1S/C18H22N4O2S2/c1-3-17(21-5-9-23-10-6-21)25-15(1)13-19-20-14-16-2-4-18(26-16)22-7-11-24-12-8-22/h1-4,13-14H,5-12H2/b19-13+,20-14+
InChIKeyNHCWCFNEHVQVTL-IWGRKNQJSA-N
MW390.53 g/mol
LogP2.94
Rot. Bonds5

About (E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine

(E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine (PubChem CID 6902229) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine
PubChem CID6902229
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name(E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine
SMILESC(=N/N=C/c1ccc(N2CCOCC2)s1)\c1ccc(N2CCOCC2)s1
InChIInChI=1S/C18H22N4O2S2/c1-3-17(21-5-9-23-10-6-21)25-15(1)13-19-20-14-16-2-4-18(26-16)22-7-11-24-12-8-22/h1-4,13-14H,5-12H2/b19-13+,20-14+
InChIKeyNHCWCFNEHVQVTL-IWGRKNQJSA-N
XLogP2.94
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine (CID 6902229) is (E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine is C(=N/N=C/c1ccc(N2CCOCC2)s1)\c1ccc(N2CCOCC2)s1.
What is the InChIKey of (E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine?
The InChIKey is NHCWCFNEHVQVTL-IWGRKNQJSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-3-17(21-5-9-23-10-6-21)25-15(1)13-19-20-14-16-2-4-18(26-16)22-7-11-24-12-8-22/h1-4,13-14H,5-12H2/b19-13+,20-14+.
What are the key properties of (E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine?
(E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine has a molecular weight of 390.53 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-morpholin-4-ylthiophen-2-yl)-N-[(E)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]methanimine is sourced from PubChem (CID 6902229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).