3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one

C18H21FN2O2S — CID 24714985

IUPAC3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(SCCN2C(=O)C2CCCC2)c2cc(F)ccc21
InChIInChI=1S/C18H21FN2O2S/c1-2-20-15-8-7-13(19)11-14(15)18(17(20)23)21(9-10-24-18)16(22)12-5-3-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyZNTNOINLMOFWCM-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.11
Rot. Bonds2

About 3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one

3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 24714985) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID24714985
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(SCCN2C(=O)C2CCCC2)c2cc(F)ccc21
InChIInChI=1S/C18H21FN2O2S/c1-2-20-15-8-7-13(19)11-14(15)18(17(20)23)21(9-10-24-18)16(22)12-5-3-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyZNTNOINLMOFWCM-UHFFFAOYSA-N
XLogP3.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 24714985) is 3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one is CCN1C(=O)C2(SCCN2C(=O)C2CCCC2)c2cc(F)ccc21.
What is the InChIKey of 3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is ZNTNOINLMOFWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-2-20-15-8-7-13(19)11-14(15)18(17(20)23)21(9-10-24-18)16(22)12-5-3-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3.
What are the key properties of 3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one?
3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 348.44 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentanecarbonyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 24714985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).