(5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C24H20N2O2S — CID 16633218

IUPAC(5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N1c1cccc(C)c1
InChIInChI=1S/C24H20N2O2S/c1-17-7-5-11-20(13-17)26-23(27)22(29-24(26)25)15-19-10-6-12-21(14-19)28-16-18-8-3-2-4-9-18/h2-15,25H,16H2,1H3/b22-15-,25-24-
InChIKeyYOJWJIGZHDTMDM-YWROOUKNSA-N
MW400.50 g/mol
LogP5.63
Rot. Bonds5

About (5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 16633218) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is (5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID16633218
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name(5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N1c1cccc(C)c1
InChIInChI=1S/C24H20N2O2S/c1-17-7-5-11-20(13-17)26-23(27)22(29-24(26)25)15-19-10-6-12-21(14-19)28-16-18-8-3-2-4-9-18/h2-15,25H,16H2,1H3/b22-15-,25-24-
InChIKeyYOJWJIGZHDTMDM-YWROOUKNSA-N
XLogP5.63
TPSA53.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.63
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

3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2788975
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 16633209
(5E)-3-[(3-methylphenyl)methyl]-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124665417
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 16633206
(5Z)-2-imino-3-(3-methylphenyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 16633228
2-[3-[(Z)-[3-(3-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 2289591
(5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840264
(5E)-3-(4-ethoxyphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124522903
(5Z)-3-(4-methoxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18837383
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836725
3-(2-ethylphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514539
3-ethyl-5-[[3-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1346761

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 16633218) is (5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N1c1cccc(C)c1.
What is the InChIKey of (5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is YOJWJIGZHDTMDM-YWROOUKNSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-17-7-5-11-20(13-17)26-23(27)22(29-24(26)25)15-19-10-6-12-21(14-19)28-16-18-8-3-2-4-9-18/h2-15,25H,16H2,1H3/b22-15-,25-24-.
What are the key properties of (5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 400.50 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-imino-3-(3-methylphenyl)-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).