3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one

C19H12N2O3S — CID 767337

IUPAC3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
SMILESCOc1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12
InChIInChI=1S/C19H12N2O3S/c1-23-12-6-7-15-17(9-12)25-19-20-14(10-21(15)19)13-8-11-4-2-3-5-16(11)24-18(13)22/h2-10H,1H3
InChIKeyYYRVZAGIJVQJSS-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.33
Rot. Bonds2

About 3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one

3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one (PubChem CID 767337) has the molecular formula C19H12N2O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
PubChem CID767337
Molecular FormulaC19H12N2O3S
Molecular Weight348.38 g/mol
Exact Mass348.06
IUPAC Name3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
SMILESCOc1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12
InChIInChI=1S/C19H12N2O3S/c1-23-12-6-7-15-17(9-12)25-19-20-14(10-21(15)19)13-8-11-4-2-3-5-16(11)24-18(13)22/h2-10H,1H3
InChIKeyYYRVZAGIJVQJSS-UHFFFAOYSA-N
XLogP4.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.33
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 3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
The IUPAC name of 3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one (CID 767337) is 3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one.
What is the SMILES notation for 3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
The canonical SMILES for 3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one is COc1ccc2c(c1)sc1nc(-c3cc4ccccc4oc3=O)cn12.
What is the InChIKey of 3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
The InChIKey is YYRVZAGIJVQJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3S/c1-23-12-6-7-15-17(9-12)25-19-20-14(10-21(15)19)13-8-11-4-2-3-5-16(11)24-18(13)22/h2-10H,1H3.
What are the key properties of 3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one has a molecular weight of 348.38 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one is sourced from PubChem (CID 767337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).