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

C20H12ClF3N2O3S — CID 73297139

IUPAC(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4cccc(C(F)(F)F)c4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C20H12ClF3N2O3S/c1-29-15-6-10(5-13(21)17(15)27)7-16-18(28)26-9-14(25-19(26)30-16)11-3-2-4-12(8-11)20(22,23)24/h2-9,27H,1H3/b16-7-
InChIKeyVWRHRENEJPEKGV-APSNUPSMSA-N
MW452.84 g/mol
LogP4.36
Rot. Bonds3

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

(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 73297139) has the molecular formula C20H12ClF3N2O3S and a molecular weight of 452.84 g/mol. Its IUPAC name is (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-(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-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID73297139
Molecular FormulaC20H12ClF3N2O3S
Molecular Weight452.84 g/mol
Exact Mass452.02
IUPAC Name(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4cccc(C(F)(F)F)c4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C20H12ClF3N2O3S/c1-29-15-6-10(5-13(21)17(15)27)7-16-18(28)26-9-14(25-19(26)30-16)11-3-2-4-12(8-11)20(22,23)24/h2-9,27H,1H3/b16-7-
InChIKeyVWRHRENEJPEKGV-APSNUPSMSA-N
XLogP4.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-(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-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one (CID 73297139) is (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-(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-(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-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one is COc1cc(/C=c2\sc3nc(-c4cccc(C(F)(F)F)c4)cn3c2=O)cc(Cl)c1O.
What is the InChIKey of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is VWRHRENEJPEKGV-APSNUPSMSA-N. The full InChI is InChI=1S/C20H12ClF3N2O3S/c1-29-15-6-10(5-13(21)17(15)27)7-16-18(28)26-9-14(25-19(26)30-16)11-3-2-4-12(8-11)20(22,23)24/h2-9,27H,1H3/b16-7-.
What are the key properties of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 452.84 g/mol, XLogP of 4.36, 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-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 73297139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).