1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C17H16N2OS — CID 24714506

IUPAC1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2C12NCCS2
InChIInChI=1S/C17H16N2OS/c20-16-17(18-10-11-21-17)14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13/h1-9,18H,10-12H2
InChIKeyQOHDBKFYNSBLEU-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.72
Rot. Bonds2

About 1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 24714506) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID24714506
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2)c2ccccc2C12NCCS2
InChIInChI=1S/C17H16N2OS/c20-16-17(18-10-11-21-17)14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13/h1-9,18H,10-12H2
InChIKeyQOHDBKFYNSBLEU-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46014824
3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile
CID 24714519
1''-benzyldispiro[cyclopentane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 3758975
CID 102218446
CID 102218446
1''-benzyldispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indol]-2''(1''H)-one
CID 3746451
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
(3S)-1,3-dibenzyl-3-benzylsulfanylindol-2-one
CID 122210430
1'-[(3-chlorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 71291276
1'-[(4-methylphenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 90322900
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
CID 166448944
(3R,4'R)-1-benzyl-4'-methylspiro[indole-3,5'-oxolane]-2,2'-dione
CID 132554346

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 24714506) is 1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is O=C1N(Cc2ccccc2)c2ccccc2C12NCCS2.
What is the InChIKey of 1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is QOHDBKFYNSBLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-16-17(18-10-11-21-17)14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13/h1-9,18H,10-12H2.
What are the key properties of 1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 296.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 24714506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).