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

C21H18N2O3S — CID 10499879

IUPAC(5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc2ccccc2n1CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C21H18N2O3S/c1-14-12-16-4-2-3-5-18(16)23(14)10-11-26-17-8-6-15(7-9-17)13-19-20(24)22-21(25)27-19/h2-9,12-13H,10-11H2,1H3,(H,22,24,25)/b19-13-
InChIKeyIPMBHTVSWKGTKC-UYRXBGFRSA-N
MW378.45 g/mol
LogP4.35
Rot. Bonds5

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

(5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10499879) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID10499879
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name(5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc2ccccc2n1CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1
InChIInChI=1S/C21H18N2O3S/c1-14-12-16-4-2-3-5-18(16)23(14)10-11-26-17-8-6-15(7-9-17)13-19-20(24)22-21(25)27-19/h2-9,12-13H,10-11H2,1H3,(H,22,24,25)/b19-13-
InChIKeyIPMBHTVSWKGTKC-UYRXBGFRSA-N
XLogP4.35
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.35
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 10499879) is (5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc2ccccc2n1CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is IPMBHTVSWKGTKC-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-14-12-16-4-2-3-5-18(16)23(14)10-11-26-17-8-6-15(7-9-17)13-19-20(24)22-21(25)27-19/h2-9,12-13H,10-11H2,1H3,(H,22,24,25)/b19-13-.
What are the key properties of (5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[2-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 378.45 g/mol, XLogP of 4.35, 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-(2-methylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10499879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).