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

C18H13NO2S — CID 53329766

IUPAC(5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(/C=C/c3ccccc3)cc2)S1
InChIInChI=1S/C18H13NO2S/c20-17-16(22-18(21)19-17)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-12H,(H,19,20,21)/b7-6+,16-12-
InChIKeyAPXCRTYWFFVUKU-SDHWVOLWSA-N
MW307.37 g/mol
LogP4.18
Rot. Bonds3

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

(5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 53329766) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is (5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID53329766
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name(5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(/C=C/c3ccccc3)cc2)S1
InChIInChI=1S/C18H13NO2S/c20-17-16(22-18(21)19-17)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-12H,(H,19,20,21)/b7-6+,16-12-
InChIKeyAPXCRTYWFFVUKU-SDHWVOLWSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

SMI-4a
CID 1361334
(Z)-5-(4-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione
CID 1239884
5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one
CID 1271002
(Z)-5-(3-Fluorobenzylidene)thiazolidine-2,4-dione
CID 1379720
(5Z)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243909
(Z)-5-(4-(Trifluoromethyl)benzylidene)thiazolidine-2,4-dione
CID 6006914
(Z)-5-(3-(Trifluoromethyl)benzylidene)-thiazolidine-2,4-dione
CID 2864586
5-{[3-(Trifluoromethyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1361332
5-(4-Ethylbenzylidene)-1,3-thiazolidine-2,4-dione
CID 1206018
(5Z)-5-{[4-(propan-2-yl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 1379638
(5Z)-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5985287
(5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 6056260

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 53329766) is (5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(/C=C/c3ccccc3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is APXCRTYWFFVUKU-SDHWVOLWSA-N. The full InChI is InChI=1S/C18H13NO2S/c20-17-16(22-18(21)19-17)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-12H,(H,19,20,21)/b7-6+,16-12-.
What are the key properties of (5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 307.37 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 53329766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).