3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C19H24N2O3S — CID 46017241

IUPAC3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOCCN1C(=O)C2(SCCN2C(=O)C2CCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3S/c1-24-12-10-20-16-9-5-4-8-15(16)19(18(20)23)21(11-13-25-19)17(22)14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3
InChIKeyDZFQSEWFVASNPE-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.60
Rot. Bonds4

About 3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46017241) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46017241
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCOCCN1C(=O)C2(SCCN2C(=O)C2CCCC2)c2ccccc21
InChIInChI=1S/C19H24N2O3S/c1-24-12-10-20-16-9-5-4-8-15(16)19(18(20)23)21(11-13-25-19)17(22)14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3
InChIKeyDZFQSEWFVASNPE-UHFFFAOYSA-N
XLogP2.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46017241) is 3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is COCCN1C(=O)C2(SCCN2C(=O)C2CCCC2)c2ccccc21.
What is the InChIKey of 3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is DZFQSEWFVASNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-24-12-10-20-16-9-5-4-8-15(16)19(18(20)23)21(11-13-25-19)17(22)14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3.
What are the key properties of 3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 360.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentanecarbonyl)-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46017241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).