(5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

C18H14BrClN2O2S — CID 137075110

IUPAC(5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(Br)cc1/C=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C18H14BrClN2O2S/c1-2-24-15-8-3-12(19)9-11(15)10-16-17(23)22-18(25-16)21-14-6-4-13(20)5-7-14/h3-10H,2H2,1H3,(H,21,22,23)/b16-10-
InChIKeyWKZBXJZMLFBBQZ-YBEGLDIGSA-N
MW437.75 g/mol
LogP5.39
Rot. Bonds4

About (5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 137075110) has the molecular formula C18H14BrClN2O2S and a molecular weight of 437.75 g/mol. Its IUPAC name is (5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID137075110
Molecular FormulaC18H14BrClN2O2S
Molecular Weight437.75 g/mol
Exact Mass435.96
IUPAC Name(5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(Br)cc1/C=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C18H14BrClN2O2S/c1-2-24-15-8-3-12(19)9-11(15)10-16-17(23)22-18(25-16)21-14-6-4-13(20)5-7-14/h3-10H,2H2,1H3,(H,21,22,23)/b16-10-
InChIKeyWKZBXJZMLFBBQZ-YBEGLDIGSA-N
XLogP5.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.75
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(5-bromo-2-octoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137070858
(5E)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139116
(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137019969
5-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135431166
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-2-(3-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137155626
(5E)-5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137079687
(5Z)-5-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137074887
(5E)-5-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137139041
5-[(5-bromo-2-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135496013
(5Z)-5-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137074440
[4-bromo-2-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methoxybenzoate
CID 137069764
(5Z)-2-(4-chlorophenyl)imino-5-[(4-ethoxy-3-iodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137100183

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one (CID 137075110) is (5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one is CCOc1ccc(Br)cc1/C=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O.
What is the InChIKey of (5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is WKZBXJZMLFBBQZ-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H14BrClN2O2S/c1-2-24-15-8-3-12(19)9-11(15)10-16-17(23)22-18(25-16)21-14-6-4-13(20)5-7-14/h3-10H,2H2,1H3,(H,21,22,23)/b16-10-.
What are the key properties of (5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 437.75 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-bromo-2-ethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137075110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).