3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one

C19H11FN2O3S — CID 1346900

IUPAC3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one
SMILESCOc1cccc2cc(-c3cn4c(n3)sc3cc(F)ccc34)c(=O)oc12
InChIInChI=1S/C19H11FN2O3S/c1-24-15-4-2-3-10-7-12(18(23)25-17(10)15)13-9-22-14-6-5-11(20)8-16(14)26-19(22)21-13/h2-9H,1H3
InChIKeyHCUPYIVCTMJGMH-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.47
Rot. Bonds2

About 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one

3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one (PubChem CID 1346900) has the molecular formula C19H11FN2O3S and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one.

Molecular Properties

Compound Name3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one
PubChem CID1346900
Molecular FormulaC19H11FN2O3S
Molecular Weight366.37 g/mol
Exact Mass366.05
IUPAC Name3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one
SMILESCOc1cccc2cc(-c3cn4c(n3)sc3cc(F)ccc34)c(=O)oc12
InChIInChI=1S/C19H11FN2O3S/c1-24-15-4-2-3-10-7-12(18(23)25-17(10)15)13-9-22-14-6-5-11(20)8-16(14)26-19(22)21-13/h2-9H,1H3
InChIKeyHCUPYIVCTMJGMH-UHFFFAOYSA-N
XLogP4.47
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.47
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-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one?
The IUPAC name of 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one (CID 1346900) is 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one.
What is the SMILES notation for 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one?
The canonical SMILES for 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one is COc1cccc2cc(-c3cn4c(n3)sc3cc(F)ccc34)c(=O)oc12.
What is the InChIKey of 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one?
The InChIKey is HCUPYIVCTMJGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN2O3S/c1-24-15-4-2-3-10-7-12(18(23)25-17(10)15)13-9-22-14-6-5-11(20)8-16(14)26-19(22)21-13/h2-9H,1H3.
What are the key properties of 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one?
3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one has a molecular weight of 366.37 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroimidazo[2,1-b][1,3]benzothiazol-2-yl)-8-methoxychromen-2-one is sourced from PubChem (CID 1346900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).