8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one

C20H14N2O3S — CID 4302147

IUPAC8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one
SMILESCCOc1cccc2cc(-c3cn4c(n3)sc3ccccc34)c(=O)oc12
InChIInChI=1S/C20H14N2O3S/c1-2-24-16-8-5-6-12-10-13(19(23)25-18(12)16)14-11-22-15-7-3-4-9-17(15)26-20(22)21-14/h3-11H,2H2,1H3
InChIKeyIYUXODFXJUWOHE-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.72
Rot. Bonds3

About 8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one

8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one (PubChem CID 4302147) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one.

Molecular Properties

Compound Name8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one
PubChem CID4302147
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one
SMILESCCOc1cccc2cc(-c3cn4c(n3)sc3ccccc34)c(=O)oc12
InChIInChI=1S/C20H14N2O3S/c1-2-24-16-8-5-6-12-10-13(19(23)25-18(12)16)14-11-22-15-7-3-4-9-17(15)26-20(22)21-14/h3-11H,2H2,1H3
InChIKeyIYUXODFXJUWOHE-UHFFFAOYSA-N
XLogP4.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one?
The IUPAC name of 8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one (CID 4302147) is 8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one.
What is the SMILES notation for 8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one?
The canonical SMILES for 8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one is CCOc1cccc2cc(-c3cn4c(n3)sc3ccccc34)c(=O)oc12.
What is the InChIKey of 8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one?
The InChIKey is IYUXODFXJUWOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c1-2-24-16-8-5-6-12-10-13(19(23)25-18(12)16)14-11-22-15-7-3-4-9-17(15)26-20(22)21-14/h3-11H,2H2,1H3.
What are the key properties of 8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one?
8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one has a molecular weight of 362.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one is sourced from PubChem (CID 4302147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).