(5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C20H15NO3S — CID 53376471

IUPAC(5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C(=O)/C=C/c2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C20H15NO3S/c1-13-2-9-16(10-3-13)17(22)11-8-14-4-6-15(7-5-14)12-18-19(23)21-20(24)25-18/h2-12H,1H3,(H,21,23,24)/b11-8+,18-12-
InChIKeySICLGDJSNAKAHK-SAYABCIWSA-N
MW349.41 g/mol
LogP4.22
Rot. Bonds4

About (5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 53376471) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is (5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID53376471
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name(5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C(=O)/C=C/c2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C20H15NO3S/c1-13-2-9-16(10-3-13)17(22)11-8-14-4-6-15(7-5-14)12-18-19(23)21-20(24)25-18/h2-12H,1H3,(H,21,23,24)/b11-8+,18-12-
InChIKeySICLGDJSNAKAHK-SAYABCIWSA-N
XLogP4.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-(4-Ethylbenzylidene)-1,3-thiazolidine-2,4-dione
CID 1206018
2-[2-(4-Methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 830027
5-[(4-Benzoylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 46231483
5-[(4-Phenylphenyl)methylene]-1,3-thiazolidine-2,4-dione
CID 10446453
5-{[4-(3-Phenylpropanoyl)phenyl]methyl}-1,3-thiazolidine-2,4-dione
CID 14459913
5-[4-(4-Phenylbutyryl)benzyl]thiazolidine-2,4-dione
CID 14459938
(E)-5-[4-(3-Phenyl-2-propenoyl)benzyl]thiazolidine-2,4-dione
CID 14459942
(5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 53329766
5-[[4-[3-(4-Phenylphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459919
5-[[4-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459945
5-[[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459948
5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459951

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 53376471) is (5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(C(=O)/C=C/c2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1.
What is the InChIKey of (5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SICLGDJSNAKAHK-SAYABCIWSA-N. The full InChI is InChI=1S/C20H15NO3S/c1-13-2-9-16(10-3-13)17(22)11-8-14-4-6-15(7-5-14)12-18-19(23)21-20(24)25-18/h2-12H,1H3,(H,21,23,24)/b11-8+,18-12-.
What are the key properties of (5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 349.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 53376471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).