6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole

C18H15FN2OS — CID 19209642

IUPAC6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc2c(c1)sc1nc(-c3ccc(F)cc3)c(C)n12
InChIInChI=1S/C18H15FN2OS/c1-3-22-14-8-9-15-16(10-14)23-18-20-17(11(2)21(15)18)12-4-6-13(19)7-5-12/h4-10H,3H2,1-2H3
InChIKeyKTBDFTBWFUJOMI-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.06
Rot. Bonds3

About 6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole

6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole (PubChem CID 19209642) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
PubChem CID19209642
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole
SMILESCCOc1ccc2c(c1)sc1nc(-c3ccc(F)cc3)c(C)n12
InChIInChI=1S/C18H15FN2OS/c1-3-22-14-8-9-15-16(10-14)23-18-20-17(11(2)21(15)18)12-4-6-13(19)7-5-12/h4-10H,3H2,1-2H3
InChIKeyKTBDFTBWFUJOMI-UHFFFAOYSA-N
XLogP5.06
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole (CID 19209642) is 6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole is CCOc1ccc2c(c1)sc1nc(-c3ccc(F)cc3)c(C)n12.
What is the InChIKey of 6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is KTBDFTBWFUJOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-3-22-14-8-9-15-16(10-14)23-18-20-17(11(2)21(15)18)12-4-6-13(19)7-5-12/h4-10H,3H2,1-2H3.
What are the key properties of 6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole?
6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 326.40 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(4-fluorophenyl)-1-methylimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 19209642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).