1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C21H21N3O3S — CID 12750664

IUPAC1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CSC2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1ccccc1
InChIInChI=1S/C21H21N3O3S/c25-19-14-28-21(24(19)16-6-2-1-3-7-16)17-8-4-5-9-18(17)23(20(21)26)15-22-10-12-27-13-11-22/h1-9H,10-15H2
InChIKeyZRAZQYLSVJFVOT-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.26
Rot. Bonds3

About 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 12750664) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID12750664
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CSC2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1ccccc1
InChIInChI=1S/C21H21N3O3S/c25-19-14-28-21(24(19)16-6-2-1-3-7-16)17-8-4-5-9-18(17)23(20(21)26)15-22-10-12-27-13-11-22/h1-9H,10-15H2
InChIKeyZRAZQYLSVJFVOT-UHFFFAOYSA-N
XLogP2.26
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 12750664) is 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CSC2(C(=O)N(CN3CCOCC3)c3ccccc32)N1c1ccccc1.
What is the InChIKey of 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is ZRAZQYLSVJFVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-19-14-28-21(24(19)16-6-2-1-3-7-16)17-8-4-5-9-18(17)23(20(21)26)15-22-10-12-27-13-11-22/h1-9H,10-15H2.
What are the key properties of 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 395.48 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(morpholin-4-ylmethyl)-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 12750664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).