(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one

C19H13FN2O3S — CID 73295048

IUPAC(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4ccccc4)cn3c2=O)cc(F)c1O
InChIInChI=1S/C19H13FN2O3S/c1-25-15-8-11(7-13(20)17(15)23)9-16-18(24)22-10-14(21-19(22)26-16)12-5-3-2-4-6-12/h2-10,23H,1H3/b16-9-
InChIKeyUZMZBQLCNJFOIR-SXGWCWSVSA-N
MW368.39 g/mol
LogP2.82
Rot. Bonds3

About (2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one

(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 73295048) has the molecular formula C19H13FN2O3S and a molecular weight of 368.39 g/mol. Its IUPAC name is (2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID73295048
Molecular FormulaC19H13FN2O3S
Molecular Weight368.39 g/mol
Exact Mass368.06
IUPAC Name(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4ccccc4)cn3c2=O)cc(F)c1O
InChIInChI=1S/C19H13FN2O3S/c1-25-15-8-11(7-13(20)17(15)23)9-16-18(24)22-10-14(21-19(22)26-16)12-5-3-2-4-6-12/h2-10,23H,1H3/b16-9-
InChIKeyUZMZBQLCNJFOIR-SXGWCWSVSA-N
XLogP2.82
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one (CID 73295048) is (2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one is COc1cc(/C=c2\sc3nc(-c4ccccc4)cn3c2=O)cc(F)c1O.
What is the InChIKey of (2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is UZMZBQLCNJFOIR-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H13FN2O3S/c1-25-15-8-11(7-13(20)17(15)23)9-16-18(24)22-10-14(21-19(22)26-16)12-5-3-2-4-6-12/h2-10,23H,1H3/b16-9-.
What are the key properties of (2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 368.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-phenylimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 73295048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).