(5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C26H24N2O2S2 — CID 126235077

IUPAC(5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)S/C1=N/c1ccccc1
InChIInChI=1S/C26H24N2O2S2/c1-19-8-12-22(13-9-19)31-23-14-10-20(11-15-23)18-24-25(29)28(16-17-30-2)26(32-24)27-21-6-4-3-5-7-21/h3-15,18H,16-17H2,1-2H3/b24-18-,27-26+
InChIKeyGPWANZDPPNMNCF-BDMFQALQSA-N
MW460.62 g/mol
LogP6.40
Rot. Bonds7

About (5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 126235077) has the molecular formula C26H24N2O2S2 and a molecular weight of 460.62 g/mol. Its IUPAC name is (5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID126235077
Molecular FormulaC26H24N2O2S2
Molecular Weight460.62 g/mol
Exact Mass460.13
IUPAC Name(5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)S/C1=N/c1ccccc1
InChIInChI=1S/C26H24N2O2S2/c1-19-8-12-22(13-9-19)31-23-14-10-20(11-15-23)18-24-25(29)28(16-17-30-2)26(32-24)27-21-6-4-3-5-7-21/h3-15,18H,16-17H2,1-2H3/b24-18-,27-26+
InChIKeyGPWANZDPPNMNCF-BDMFQALQSA-N
XLogP6.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.40
H-Bond Donors ≤ 50
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

3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 4179195
5-[(4-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 3947839
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 126103499
(5E)-3-(2-methoxyethyl)-5-[(5-methyl-1-phenylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50857395
(5E)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 9485026
2-[4-[[3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 4264773
(5Z)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 6109591
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 27003690
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one
CID 126113040
3-(2-methoxyethyl)-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5206727
(5E)-3-(2-methoxyethyl)-2-phenylimino-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 50864371
5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 4570133

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 126235077) is (5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is COCCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)S/C1=N/c1ccccc1.
What is the InChIKey of (5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is GPWANZDPPNMNCF-BDMFQALQSA-N. The full InChI is InChI=1S/C26H24N2O2S2/c1-19-8-12-22(13-9-19)31-23-14-10-20(11-15-23)18-24-25(29)28(16-17-30-2)26(32-24)27-21-6-4-3-5-7-21/h3-15,18H,16-17H2,1-2H3/b24-18-,27-26+.
What are the key properties of (5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 460.62 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126235077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).