(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

C23H21N3O2S — CID 27434018

IUPAC(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1ccc(C)cc1O
InChIInChI=1S/C23H21N3O2S/c1-4-11-26-22(28)21(13-16-14-25(3)19-8-6-5-7-17(16)19)29-23(26)24-18-10-9-15(2)12-20(18)27/h4-10,12-14,27H,1,11H2,2-3H3/b21-13-,24-23+
InChIKeyWMBRUHUIWBWYEV-FQUZHOSTSA-N
MW403.51 g/mol
LogP4.98
Rot. Bonds4

About (5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 27434018) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is (5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID27434018
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1ccc(C)cc1O
InChIInChI=1S/C23H21N3O2S/c1-4-11-26-22(28)21(13-16-14-25(3)19-8-6-5-7-17(16)19)29-23(26)24-18-10-9-15(2)12-20(18)27/h4-10,12-14,27H,1,11H2,2-3H3/b21-13-,24-23+
InChIKeyWMBRUHUIWBWYEV-FQUZHOSTSA-N
XLogP4.98
TPSA57.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(2-methylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27433952
(2E,5Z)-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18845958
(5E)-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1301236
(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2-hydroxy-4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27434030
(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 27433958
(2E,5Z)-3-ethyl-5-[(1-methylindol-3-yl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845856
(5Z)-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 27434731
(5Z)-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 27408622
2-[5-[(1-methylindol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 1326493
(5E)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50873333
(5Z)-3-ethyl-2-(2-hydroxy-4-methylphenyl)imino-5-[[2-(2-oxopentan-3-yloxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 43861421
(5Z)-3-(2,4-dimethylphenyl)-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18839883

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 27434018) is (5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N/c1ccc(C)cc1O.
What is the InChIKey of (5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is WMBRUHUIWBWYEV-FQUZHOSTSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-4-11-26-22(28)21(13-16-14-25(3)19-8-6-5-7-17(16)19)29-23(26)24-18-10-9-15(2)12-20(18)27/h4-10,12-14,27H,1,11H2,2-3H3/b21-13-,24-23+.
What are the key properties of (5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 403.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-hydroxy-4-methylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 27434018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).