[5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium

C23H28N3O2S3+ — CID 27001148

IUPAC[5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium
SMILESC[N+](C)=C1C=CC(=C(c2ccc(N3CCOCC3)s2)c2ccc(N3CCOCC3)s2)S1
InChIInChI=1S/C23H28N3O2S3/c1-24(2)20-6-3-17(29-20)23(18-4-7-21(30-18)25-9-13-27-14-10-25)19-5-8-22(31-19)26-11-15-28-16-12-26/h3-8H,9-16H2,1-2H3/q+1
InChIKeyAFCKDFPQNAHRBB-UHFFFAOYSA-N
MW474.70 g/mol
LogP4.22
Rot. Bonds4

About [5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium

[5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium (PubChem CID 27001148) has the molecular formula C23H28N3O2S3+ and a molecular weight of 474.70 g/mol. Its IUPAC name is [5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium
PubChem CID27001148
Molecular FormulaC23H28N3O2S3+
Molecular Weight474.70 g/mol
Exact Mass474.13
IUPAC Name[5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium
SMILESC[N+](C)=C1C=CC(=C(c2ccc(N3CCOCC3)s2)c2ccc(N3CCOCC3)s2)S1
InChIInChI=1S/C23H28N3O2S3/c1-24(2)20-6-3-17(29-20)23(18-4-7-21(30-18)25-9-13-27-14-10-25)19-5-8-22(31-19)26-11-15-28-16-12-26/h3-8H,9-16H2,1-2H3/q+1
InChIKeyAFCKDFPQNAHRBB-UHFFFAOYSA-N
XLogP4.22
TPSA27.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.70
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium?
The IUPAC name of [5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium (CID 27001148) is [5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium.
What is the SMILES notation for [5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium?
The canonical SMILES for [5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium is C[N+](C)=C1C=CC(=C(c2ccc(N3CCOCC3)s2)c2ccc(N3CCOCC3)s2)S1.
What is the InChIKey of [5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium?
The InChIKey is AFCKDFPQNAHRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N3O2S3/c1-24(2)20-6-3-17(29-20)23(18-4-7-21(30-18)25-9-13-27-14-10-25)19-5-8-22(31-19)26-11-15-28-16-12-26/h3-8H,9-16H2,1-2H3/q+1.
What are the key properties of [5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium?
[5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium has a molecular weight of 474.70 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[bis(5-morpholin-4-ylthiophen-2-yl)methylidene]thiophen-2-ylidene]-dimethylazanium is sourced from PubChem (CID 27001148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).