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

C20H20N2O3S — CID 46236810

IUPAC(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C20H20N2O3S/c1-13(2)21-20-22(15-7-5-4-6-8-15)19(24)18(26-20)12-14-9-10-16(23)17(11-14)25-3/h4-13,23H,1-3H3/b18-12-,21-20-
InChIKeyTZHUGVMQAFHSKB-RTPYTOBHSA-N
MW368.46 g/mol
LogP4.29
Rot. Bonds4

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

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 46236810) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
PubChem CID46236810
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O
InChIInChI=1S/C20H20N2O3S/c1-13(2)21-20-22(15-7-5-4-6-8-15)19(24)18(26-20)12-14-9-10-16(23)17(11-14)25-3/h4-13,23H,1-3H3/b18-12-,21-20-
InChIKeyTZHUGVMQAFHSKB-RTPYTOBHSA-N
XLogP4.29
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
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

5-(4-Hydroxy-3-methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135547290
(2z,5z)-2-[(2-Chlorophenyl)imino]-5-(4-Hydroxy-3-Methoxybenzylidene)-1,3-Thiazolidin-4-One
CID 135401109
(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(methyl(phenyl)amino)-2-thioxothiazolidin-4-one
CID 1561908
(Z)-5-(3-ethoxy-4-hydroxybenzylidene)-3-(4-ethoxyphenyl)thiazolidine-2,4-dione
CID 2004955
(5Z)-5-(3,4-dimethoxybenzylidene)-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16188481
(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(4-hydroxyphenyl)-2-thioxothiazolidin-4-one
CID 1230203
5-(4-Hydroxy-3-methoxybenzylidene)-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 1377804
(Z,Z)-5-[4-(2-Hydroxy-ethoxy)-benzylidene]-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 11315069
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
CID 24957033
(Z,Z)-5-[4-(3-Hydroxy-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237052
rac-(Z,Z)-5-[4-(2,3-Dihydroxy-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237175
5-[(Z)-1-(3,4-dimethoxyphenyl)methylidene]-2-(4-hydroxyanilino)-1,3-thiazol-4-one
CID 135438929

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 46236810) is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is COc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
The InChIKey is TZHUGVMQAFHSKB-RTPYTOBHSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13(2)21-20-22(15-7-5-4-6-8-15)19(24)18(26-20)12-14-9-10-16(23)17(11-14)25-3/h4-13,23H,1-3H3/b18-12-,21-20-.
What are the key properties of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 368.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenyl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 46236810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).