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

C20H11ClF4N2O3S — CID 73294717

IUPAC(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4ccc(C(F)(F)F)c(F)c4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C20H11ClF4N2O3S/c1-30-15-5-9(4-12(21)17(15)28)6-16-18(29)27-8-14(26-19(27)31-16)10-2-3-11(13(22)7-10)20(23,24)25/h2-8,28H,1H3/b16-6-
InChIKeyKXLHWFKNHVJQIJ-SOFYXZRVSA-N
MW470.83 g/mol
LogP4.50
Rot. Bonds3

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

(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 73294717) has the molecular formula C20H11ClF4N2O3S and a molecular weight of 470.83 g/mol. Its IUPAC name is (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID73294717
Molecular FormulaC20H11ClF4N2O3S
Molecular Weight470.83 g/mol
Exact Mass470.01
IUPAC Name(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4ccc(C(F)(F)F)c(F)c4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C20H11ClF4N2O3S/c1-30-15-5-9(4-12(21)17(15)28)6-16-18(29)27-8-14(26-19(27)31-16)10-2-3-11(13(22)7-10)20(23,24)25/h2-8,28H,1H3/b16-6-
InChIKeyKXLHWFKNHVJQIJ-SOFYXZRVSA-N
XLogP4.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.83
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one (CID 73294717) is (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]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-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one is COc1cc(/C=c2\sc3nc(-c4ccc(C(F)(F)F)c(F)c4)cn3c2=O)cc(Cl)c1O.
What is the InChIKey of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is KXLHWFKNHVJQIJ-SOFYXZRVSA-N. The full InChI is InChI=1S/C20H11ClF4N2O3S/c1-30-15-5-9(4-12(21)17(15)28)6-16-18(29)27-8-14(26-19(27)31-16)10-2-3-11(13(22)7-10)20(23,24)25/h2-8,28H,1H3/b16-6-.
What are the key properties of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 470.83 g/mol, XLogP of 4.50, 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-fluoro-4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 73294717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).