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

C12H13FN2OS — CID 24714513

IUPAC1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(NCCS2)c2cc(F)ccc21
InChIInChI=1S/C12H13FN2OS/c1-2-15-10-4-3-8(13)7-9(10)12(11(15)16)14-5-6-17-12/h3-4,7,14H,2,5-6H2,1H3
InChIKeyITJPUKUSTZKJRV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.68
Rot. Bonds1

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

1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 24714513) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID24714513
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(NCCS2)c2cc(F)ccc21
InChIInChI=1S/C12H13FN2OS/c1-2-15-10-4-3-8(13)7-9(10)12(11(15)16)14-5-6-17-12/h3-4,7,14H,2,5-6H2,1H3
InChIKeyITJPUKUSTZKJRV-UHFFFAOYSA-N
XLogP1.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 24714513) is 1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one is CCN1C(=O)C2(NCCS2)c2cc(F)ccc21.
What is the InChIKey of 1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is ITJPUKUSTZKJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-2-15-10-4-3-8(13)7-9(10)12(11(15)16)14-5-6-17-12/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 252.31 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 24714513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).