5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one

C17H11FN2OS — CID 71406343

IUPAC5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one
SMILESO=C1CSc2c(-c3ccccc3)nc(-c3ccc(F)cc3)n21
InChIInChI=1S/C17H11FN2OS/c18-13-8-6-12(7-9-13)16-19-15(11-4-2-1-3-5-11)17-20(16)14(21)10-22-17/h1-9H,10H2
InChIKeyOGRDTAASRGBMQT-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.10
Rot. Bonds2

About 5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one

5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one (PubChem CID 71406343) has the molecular formula C17H11FN2OS and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one
PubChem CID71406343
Molecular FormulaC17H11FN2OS
Molecular Weight310.35 g/mol
Exact Mass310.06
IUPAC Name5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one
SMILESO=C1CSc2c(-c3ccccc3)nc(-c3ccc(F)cc3)n21
InChIInChI=1S/C17H11FN2OS/c18-13-8-6-12(7-9-13)16-19-15(11-4-2-1-3-5-11)17-20(16)14(21)10-22-17/h1-9H,10H2
InChIKeyOGRDTAASRGBMQT-UHFFFAOYSA-N
XLogP4.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one?
The IUPAC name of 5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one (CID 71406343) is 5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one?
The canonical SMILES for 5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one is O=C1CSc2c(-c3ccccc3)nc(-c3ccc(F)cc3)n21.
What is the InChIKey of 5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one?
The InChIKey is OGRDTAASRGBMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2OS/c18-13-8-6-12(7-9-13)16-19-15(11-4-2-1-3-5-11)17-20(16)14(21)10-22-17/h1-9H,10H2.
What are the key properties of 5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one?
5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one has a molecular weight of 310.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-phenylimidazo[5,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 71406343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).