3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C17H22N2O2S — CID 24714354

IUPAC3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCC(C)C(=O)N1CCSC12C(=O)N(C(C)C)c1ccccc12
InChIInChI=1S/C17H22N2O2S/c1-11(2)15(20)18-9-10-22-17(18)13-7-5-6-8-14(13)19(12(3)4)16(17)21/h5-8,11-12H,9-10H2,1-4H3
InChIKeyITLOWSZXXGITDX-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.83
Rot. Bonds2

About 3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 24714354) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID24714354
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCC(C)C(=O)N1CCSC12C(=O)N(C(C)C)c1ccccc12
InChIInChI=1S/C17H22N2O2S/c1-11(2)15(20)18-9-10-22-17(18)13-7-5-6-8-14(13)19(12(3)4)16(17)21/h5-8,11-12H,9-10H2,1-4H3
InChIKeyITLOWSZXXGITDX-UHFFFAOYSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2'-oxo-1'-propan-2-yl-N-(4-propan-2-ylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016640
1'-[(4-methylphenyl)methyl]-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839177
(2R)-3-acetyl-1'-[(2-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93185978
3-acetyl-1'-(2-methoxyethyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714607
(2S)-1'-[(3-fluorophenyl)methyl]-5'-methoxy-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186997
(2R)-5'-chloro-1'-[(4-methylphenyl)methyl]-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186684
3-[[5'-chloro-3-(2-methylpropanoyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 46017386
(2R)-1'-[(3-methylphenyl)methyl]-3-propanoylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186074
(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187185
1'-[(3,4-difluorophenyl)methyl]-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017275
3-(2-fluorobenzoyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015256
(2S)-N-ethyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184629

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 24714354) is 3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is CC(C)C(=O)N1CCSC12C(=O)N(C(C)C)c1ccccc12.
What is the InChIKey of 3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is ITLOWSZXXGITDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(2)15(20)18-9-10-22-17(18)13-7-5-6-8-14(13)19(12(3)4)16(17)21/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 318.44 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 24714354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).