(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one

C19H12ClFN2O3S — CID 73295398

IUPAC(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4cccc(F)c4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C19H12ClFN2O3S/c1-26-15-6-10(5-13(20)17(15)24)7-16-18(25)23-9-14(22-19(23)27-16)11-3-2-4-12(21)8-11/h2-9,24H,1H3/b16-7-
InChIKeyUPAIAXSARJJSFE-APSNUPSMSA-N
MW402.83 g/mol
LogP3.48
Rot. Bonds3

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

(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 73295398) has the molecular formula C19H12ClFN2O3S and a molecular weight of 402.83 g/mol. Its IUPAC name is (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID73295398
Molecular FormulaC19H12ClFN2O3S
Molecular Weight402.83 g/mol
Exact Mass402.02
IUPAC Name(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4cccc(F)c4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C19H12ClFN2O3S/c1-26-15-6-10(5-13(20)17(15)24)7-16-18(25)23-9-14(22-19(23)27-16)11-3-2-4-12(21)8-11/h2-9,24H,1H3/b16-7-
InChIKeyUPAIAXSARJJSFE-APSNUPSMSA-N
XLogP3.48
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one (CID 73295398) is (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one is COc1cc(/C=c2\sc3nc(-c4cccc(F)c4)cn3c2=O)cc(Cl)c1O.
What is the InChIKey of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is UPAIAXSARJJSFE-APSNUPSMSA-N. The full InChI is InChI=1S/C19H12ClFN2O3S/c1-26-15-6-10(5-13(20)17(15)24)7-16-18(25)23-9-14(22-19(23)27-16)11-3-2-4-12(21)8-11/h2-9,24H,1H3/b16-7-.
What are the key properties of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 402.83 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 73295398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).