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

C18H9FN2O2S — CID 762403

IUPAC3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cn2c(n1)sc1cc(F)ccc12
InChIInChI=1S/C18H9FN2O2S/c19-11-5-6-14-16(8-11)24-18-20-13(9-21(14)18)12-7-10-3-1-2-4-15(10)23-17(12)22/h1-9H
InChIKeyPJFWHNQFYOJHSR-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.46
Rot. Bonds1

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

3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one (PubChem CID 762403) has the molecular formula C18H9FN2O2S and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one.

Molecular Properties

Compound Name3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
PubChem CID762403
Molecular FormulaC18H9FN2O2S
Molecular Weight336.35 g/mol
Exact Mass336.04
IUPAC Name3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cn2c(n1)sc1cc(F)ccc12
InChIInChI=1S/C18H9FN2O2S/c19-11-5-6-14-16(8-11)24-18-20-13(9-21(14)18)12-7-10-3-1-2-4-15(10)23-17(12)22/h1-9H
InChIKeyPJFWHNQFYOJHSR-UHFFFAOYSA-N
XLogP4.46
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
The IUPAC name of 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one (CID 762403) is 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one.
What is the SMILES notation for 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
The canonical SMILES for 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one is O=c1oc2ccccc2cc1-c1cn2c(n1)sc1cc(F)ccc12.
What is the InChIKey of 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
The InChIKey is PJFWHNQFYOJHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9FN2O2S/c19-11-5-6-14-16(8-11)24-18-20-13(9-21(14)18)12-7-10-3-1-2-4-15(10)23-17(12)22/h1-9H.
What are the key properties of 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one?
3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one has a molecular weight of 336.35 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)chromen-2-one is sourced from PubChem (CID 762403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).