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

C22H20N2O3S — CID 10644224

IUPAC(5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1c(C)n(CCOc2ccc(/C=C3\SC(=O)NC3=O)cc2)c2ccccc12
InChIInChI=1S/C22H20N2O3S/c1-14-15(2)24(19-6-4-3-5-18(14)19)11-12-27-17-9-7-16(8-10-17)13-20-21(25)23-22(26)28-20/h3-10,13H,11-12H2,1-2H3,(H,23,25,26)/b20-13-
InChIKeyLRTLFCHNROCCNC-MOSHPQCFSA-N
MW392.48 g/mol
LogP4.66
Rot. Bonds5

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

(5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10644224) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID10644224
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name(5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1c(C)n(CCOc2ccc(/C=C3\SC(=O)NC3=O)cc2)c2ccccc12
InChIInChI=1S/C22H20N2O3S/c1-14-15(2)24(19-6-4-3-5-18(14)19)11-12-27-17-9-7-16(8-10-17)13-20-21(25)23-22(26)28-20/h3-10,13H,11-12H2,1-2H3,(H,23,25,26)/b20-13-
InChIKeyLRTLFCHNROCCNC-MOSHPQCFSA-N
XLogP4.66
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 10644224) is (5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1c(C)n(CCOc2ccc(/C=C3\SC(=O)NC3=O)cc2)c2ccccc12.
What is the InChIKey of (5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LRTLFCHNROCCNC-MOSHPQCFSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-14-15(2)24(19-6-4-3-5-18(14)19)11-12-27-17-9-7-16(8-10-17)13-20-21(25)23-22(26)28-20/h3-10,13H,11-12H2,1-2H3,(H,23,25,26)/b20-13-.
What are the key properties of (5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[2-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 392.48 g/mol, XLogP of 4.66, 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-(2,3-dimethylindol-1-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10644224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).