(5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

C20H20N2O2S — CID 46237048

IUPAC(5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=C1\S/C(=N\C(C)C)N(c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-10-5-4-6-11-16)19(23)18(25-20)13-15-9-7-8-12-17(15)24-3/h4-14H,1-3H3/b18-13-,21-20-
InChIKeyZZTHFLGPODYQEZ-PQDITWEDSA-N
MW352.46 g/mol
LogP4.58
Rot. Bonds4

About (5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 46237048) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID46237048
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1ccccc1/C=C1\S/C(=N\C(C)C)N(c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-10-5-4-6-11-16)19(23)18(25-20)13-15-9-7-8-12-17(15)24-3/h4-14H,1-3H3/b18-13-,21-20-
InChIKeyZZTHFLGPODYQEZ-PQDITWEDSA-N
XLogP4.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
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

(5Z)-5-[(4-bromophenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46236931
(5Z)-3-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840331
3-(4-chlorophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2860835
5-[[4-(3-hydroxypropoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 75181878
(5E)-5-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 2262168
N-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]benzamide
CID 3407890
(5E)-3-(4-aminophenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 82030979
(5E)-3-(4-hydroxyphenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1350003
(2E,5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-phenyl-1,3-thiazolidin-4-one
CID 18846024
2-[2-[(E)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid
CID 43862629
(5Z)-5-[[3-(2-hydroxyethoxy)phenyl]methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 46237177
3-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
CID 2892255

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 46237048) is (5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is COc1ccccc1/C=C1\S/C(=N\C(C)C)N(c2ccccc2)C1=O.
What is the InChIKey of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is ZZTHFLGPODYQEZ-PQDITWEDSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14(2)21-20-22(16-10-5-4-6-11-16)19(23)18(25-20)13-15-9-7-8-12-17(15)24-3/h4-14H,1-3H3/b18-13-,21-20-.
What are the key properties of (5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 352.46 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 46237048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).