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

C23H20N2O4S — CID 89318933

IUPAC(5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1c(/C=C2\SC(=O)NC2=O)c2ccccc2n1Cc1ccc(C(=O)C(C)O)cc1
InChIInChI=1S/C23H20N2O4S/c1-13-18(11-20-22(28)24-23(29)30-20)17-5-3-4-6-19(17)25(13)12-15-7-9-16(10-8-15)21(27)14(2)26/h3-11,14,26H,12H2,1-2H3,(H,24,28,29)/b20-11-
InChIKeyGTSHOBGVLIXCKG-JAIQZWGSSA-N
MW420.49 g/mol
LogP3.89
Rot. Bonds5

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

(5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 89318933) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is (5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID89318933
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name(5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1c(/C=C2\SC(=O)NC2=O)c2ccccc2n1Cc1ccc(C(=O)C(C)O)cc1
InChIInChI=1S/C23H20N2O4S/c1-13-18(11-20-22(28)24-23(29)30-20)17-5-3-4-6-19(17)25(13)12-15-7-9-16(10-8-15)21(27)14(2)26/h3-11,14,26H,12H2,1-2H3,(H,24,28,29)/b20-11-
InChIKeyGTSHOBGVLIXCKG-JAIQZWGSSA-N
XLogP3.89
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 89318933) is (5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1c(/C=C2\SC(=O)NC2=O)c2ccccc2n1Cc1ccc(C(=O)C(C)O)cc1.
What is the InChIKey of (5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GTSHOBGVLIXCKG-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-13-18(11-20-22(28)24-23(29)30-20)17-5-3-4-6-19(17)25(13)12-15-7-9-16(10-8-15)21(27)14(2)26/h3-11,14,26H,12H2,1-2H3,(H,24,28,29)/b20-11-.
What are the key properties of (5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 420.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-[[4-(2-hydroxypropanoyl)phenyl]methyl]-2-methylindol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 89318933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).