(5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C19H15NO3S — CID 10806862

IUPAC(5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCC3Cc4ccccc43)cc2)S1
InChIInChI=1S/C19H15NO3S/c21-18-17(24-19(22)20-18)9-12-5-7-15(8-6-12)23-11-14-10-13-3-1-2-4-16(13)14/h1-9,14H,10-11H2,(H,20,21,22)/b17-9-
InChIKeyAUXOVYPEBUPZAT-MFOYZWKCSA-N
MW337.40 g/mol
LogP3.73
Rot. Bonds4

About (5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10806862) has the molecular formula C19H15NO3S and a molecular weight of 337.40 g/mol. Its IUPAC name is (5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID10806862
Molecular FormulaC19H15NO3S
Molecular Weight337.40 g/mol
Exact Mass337.08
IUPAC Name(5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCC3Cc4ccccc43)cc2)S1
InChIInChI=1S/C19H15NO3S/c21-18-17(24-19(22)20-18)9-12-5-7-15(8-6-12)23-11-14-10-13-3-1-2-4-16(13)14/h1-9,14H,10-11H2,(H,20,21,22)/b17-9-
InChIKeyAUXOVYPEBUPZAT-MFOYZWKCSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.73
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-[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
5-[[4-(cyclohexylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74993371
(5Z)-5-[[4-(3-phenylpropoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46836336
(5Z)-5-[[4-(2,3-dihydrothiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 89042691
5-[[4-[[(2S)-1-quinolin-2-ylaziridin-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 173307406
(5Z)-5-[[4-[2-(3-oxo-1H-isoindol-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18998899
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 3791203
methyl 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 18722852
(5Z)-5-[[4-(thiophen-3-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 46233519
(5Z)-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10502811
(5Z)-5-[[4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 163891673

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 10806862) is (5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCC3Cc4ccccc43)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is AUXOVYPEBUPZAT-MFOYZWKCSA-N. The full InChI is InChI=1S/C19H15NO3S/c21-18-17(24-19(22)20-18)9-12-5-7-15(8-6-12)23-11-14-10-13-3-1-2-4-16(13)14/h1-9,14H,10-11H2,(H,20,21,22)/b17-9-.
What are the key properties of (5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 337.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10806862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).