5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one

C18H15ClN2O3S — CID 1233189

IUPAC5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\SC(=Cc3ccc(O)c(Cl)c3)C(=O)N2C)cc1
InChIInChI=1S/C18H15ClN2O3S/c1-21-17(23)16(10-11-3-8-15(22)14(19)9-11)25-18(21)20-12-4-6-13(24-2)7-5-12/h3-10,22H,1-2H3/b16-10?,20-18-
InChIKeyMAORBJNTYAZFIF-MKOZRISZSA-N
MW374.85 g/mol
LogP4.29
Rot. Bonds3

About 5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one

5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 1233189) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is 5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID1233189
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC Name5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\SC(=Cc3ccc(O)c(Cl)c3)C(=O)N2C)cc1
InChIInChI=1S/C18H15ClN2O3S/c1-21-17(23)16(10-11-3-8-15(22)14(19)9-11)25-18(21)20-12-4-6-13(24-2)7-5-12/h3-10,22H,1-2H3/b16-10?,20-18-
InChIKeyMAORBJNTYAZFIF-MKOZRISZSA-N
XLogP4.29
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5Z)-2-(4-methoxyphenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 155552606
5-[(3-chloro-4-prop-2-enoxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 3840132
(5E)-2-(3-chlorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486384
4-[[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 177373826
(5Z)-2-(4-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 27409005
4-[[5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 1229027
5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-propyl-1,3-thiazolidin-4-one
CID 1233206
(5E)-2-(4-fluorophenyl)imino-5-[(3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485805
2-hydroxy-4-[[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 27432969
(5Z)-2-(4-methoxyphenyl)imino-3-methyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 1233181
2-(4-methoxyphenyl)imino-3-methyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 1233182
methyl 4-[[(5E)-5-[(3-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 6144938

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 1233189) is 5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one is COc1ccc(/N=C2\SC(=Cc3ccc(O)c(Cl)c3)C(=O)N2C)cc1.
What is the InChIKey of 5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is MAORBJNTYAZFIF-MKOZRISZSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-21-17(23)16(10-11-3-8-15(22)14(19)9-11)25-18(21)20-12-4-6-13(24-2)7-5-12/h3-10,22H,1-2H3/b16-10?,20-18-.
What are the key properties of 5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one?
5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 374.85 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 1233189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).