3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine

C23H26N3S+ — CID 58701071

IUPAC3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine
SMILESCCN1CCSC1=CC=C1CC[n+]2c1n(CC)c1cc3ccccc3cc12
InChIInChI=1S/C23H26N3S/c1-3-24-13-14-27-22(24)10-9-17-11-12-26-21-16-19-8-6-5-7-18(19)15-20(21)25(4-2)23(17)26/h5-10,15-16H,3-4,11-14H2,1-2H3/q+1
InChIKeyYOAIWYBZRGSNDF-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.80
Rot. Bonds3

About 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine

3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine (PubChem CID 58701071) has the molecular formula C23H26N3S+ and a molecular weight of 376.55 g/mol. Its IUPAC name is 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine.

Molecular Properties

Compound Name3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine
PubChem CID58701071
Molecular FormulaC23H26N3S+
Molecular Weight376.55 g/mol
Exact Mass376.18
IUPAC Name3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine
SMILESCCN1CCSC1=CC=C1CC[n+]2c1n(CC)c1cc3ccccc3cc12
InChIInChI=1S/C23H26N3S/c1-3-24-13-14-27-22(24)10-9-17-11-12-26-21-16-19-8-6-5-7-18(19)15-20(21)25(4-2)23(17)26/h5-10,15-16H,3-4,11-14H2,1-2H3/q+1
InChIKeyYOAIWYBZRGSNDF-UHFFFAOYSA-N
XLogP4.80
TPSA12.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine?
The IUPAC name of 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine (CID 58701071) is 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine.
What is the SMILES notation for 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine?
The canonical SMILES for 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine is CCN1CCSC1=CC=C1CC[n+]2c1n(CC)c1cc3ccccc3cc12.
What is the InChIKey of 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine?
The InChIKey is YOAIWYBZRGSNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N3S/c1-3-24-13-14-27-22(24)10-9-17-11-12-26-21-16-19-8-6-5-7-18(19)15-20(21)25(4-2)23(17)26/h5-10,15-16H,3-4,11-14H2,1-2H3/q+1.
What are the key properties of 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine?
3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine has a molecular weight of 376.55 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(16-ethyl-16-aza-11-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15)-hexaen-14-ylidene)ethylidene]-1,3-thiazolidine is sourced from PubChem (CID 58701071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).