5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one

C18H13FN2OS — CID 11324787

IUPAC5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCC1Sc2nc(-c3ccccc3)c(-c3ccc(F)cc3)n2C1=O
InChIInChI=1S/C18H13FN2OS/c1-11-17(22)21-16(13-7-9-14(19)10-8-13)15(20-18(21)23-11)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyNGCMWYIOGOVIBV-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.49
Rot. Bonds2

About 5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one

5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 11324787) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID11324787
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCC1Sc2nc(-c3ccccc3)c(-c3ccc(F)cc3)n2C1=O
InChIInChI=1S/C18H13FN2OS/c1-11-17(22)21-16(13-7-9-14(19)10-8-13)15(20-18(21)23-11)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyNGCMWYIOGOVIBV-UHFFFAOYSA-N
XLogP4.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one (CID 11324787) is 5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one is CC1Sc2nc(-c3ccccc3)c(-c3ccc(F)cc3)n2C1=O.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is NGCMWYIOGOVIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c1-11-17(22)21-16(13-7-9-14(19)10-8-13)15(20-18(21)23-11)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one?
5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 324.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 11324787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).