(5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C20H16N2O4S — CID 18998899

IUPAC(5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCN3Cc4ccccc4C3=O)cc2)S1
InChIInChI=1S/C20H16N2O4S/c23-18-17(27-20(25)21-18)11-13-5-7-15(8-6-13)26-10-9-22-12-14-3-1-2-4-16(14)19(22)24/h1-8,11H,9-10,12H2,(H,21,23,25)/b17-11-
InChIKeyHAWIZBNAZBARPT-BOPFTXTBSA-N
MW380.43 g/mol
LogP3.05
Rot. Bonds5

About (5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18998899) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18998899
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name(5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCCN3Cc4ccccc4C3=O)cc2)S1
InChIInChI=1S/C20H16N2O4S/c23-18-17(27-20(25)21-18)11-13-5-7-15(8-6-13)26-10-9-22-12-14-3-1-2-4-16(14)19(22)24/h1-8,11H,9-10,12H2,(H,21,23,25)/b17-11-
InChIKeyHAWIZBNAZBARPT-BOPFTXTBSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467
(5Z)-5-[[4-(3-phenylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836336
5-[[4-(2-phenoxazin-10-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 54414745
(5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 163891673
(5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10806862
5-[[4-[2-(pyridin-2-ylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71433938
5-[[4-[2-(3-methyl-4-oxoquinazolin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 54052043
(5Z)-5-[[2-[3-(1,3-dioxoisoindol-2-yl)propoxy]-5-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 58423304
(5E)-5-[[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18722821
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662
5-[[4-[2-[1-methyl-2-(4-methylphenyl)-4-oxoquinolin-3-yl]oxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73100648
5-[[4-(cyclohexylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74993371

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 18998899) is (5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCCN3Cc4ccccc4C3=O)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HAWIZBNAZBARPT-BOPFTXTBSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-18-17(27-20(25)21-18)11-13-5-7-15(8-6-13)26-10-9-22-12-14-3-1-2-4-16(14)19(22)24/h1-8,11H,9-10,12H2,(H,21,23,25)/b17-11-.
What are the key properties of (5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 380.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18998899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).