4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione

C20H16N2O3S — CID 18973556

IUPAC4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(Cc2cccc3c2ccn3CC(=O)c2ccccc2)C(=O)S1
InChIInChI=1S/C20H16N2O3S/c23-18(13-5-2-1-3-6-13)12-22-10-9-15-14(7-4-8-17(15)22)11-16-19(24)26-20(25)21-16/h1-10,16H,11-12H2,(H,21,25)
InChIKeyRRKSKORZYYPBHQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.42
Rot. Bonds5

About 4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione

4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 18973556) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione
PubChem CID18973556
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione
SMILESO=C1NC(Cc2cccc3c2ccn3CC(=O)c2ccccc2)C(=O)S1
InChIInChI=1S/C20H16N2O3S/c23-18(13-5-2-1-3-6-13)12-22-10-9-15-14(7-4-8-17(15)22)11-16-19(24)26-20(25)21-16/h1-10,16H,11-12H2,(H,21,25)
InChIKeyRRKSKORZYYPBHQ-UHFFFAOYSA-N
XLogP3.42
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione (CID 18973556) is 4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione is O=C1NC(Cc2cccc3c2ccn3CC(=O)c2ccccc2)C(=O)S1.
What is the InChIKey of 4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is RRKSKORZYYPBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-18(13-5-2-1-3-6-13)12-22-10-9-15-14(7-4-8-17(15)22)11-16-19(24)26-20(25)21-16/h1-10,16H,11-12H2,(H,21,25).
What are the key properties of 4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione?
4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 364.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenacylindol-4-yl)methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 18973556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).