3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile

C19H17N3OS — CID 24714519

IUPAC3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile
SMILESCc1ccc2c(c1)C1(NCCS1)C(=O)N2Cc1cccc(C#N)c1
InChIInChI=1S/C19H17N3OS/c1-13-5-6-17-16(9-13)19(21-7-8-24-19)18(23)22(17)12-15-4-2-3-14(10-15)11-20/h2-6,9-10,21H,7-8,12H2,1H3
InChIKeyXUUNMRCHICXABN-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.90
Rot. Bonds2

About 3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile

3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile (PubChem CID 24714519) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile.

Molecular Properties

Compound Name3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile
PubChem CID24714519
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile
SMILESCc1ccc2c(c1)C1(NCCS1)C(=O)N2Cc1cccc(C#N)c1
InChIInChI=1S/C19H17N3OS/c1-13-5-6-17-16(9-13)19(21-7-8-24-19)18(23)22(17)12-15-4-2-3-14(10-15)11-20/h2-6,9-10,21H,7-8,12H2,1H3
InChIKeyXUUNMRCHICXABN-UHFFFAOYSA-N
XLogP2.90
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2R)-3-(2-methoxyacetyl)-5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187409
1'-benzylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 24714506
3-[[(2S)-3-acetyl-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187427
3-[[(2R)-3-acetyl-5'-methoxy-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 93187538
(2S)-1'-[(3-cyanophenyl)methyl]-5'-methoxy-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185947
3-[(4,4-dicyclopropyl-2,5-dioxoimidazolidin-1-yl)methyl]benzonitrile
CID 60619510
3-[(3,3-dimethyl-2,6-dioxopiperazin-1-yl)methyl]benzonitrile
CID 66067693
N-ethyl-5'-methyl-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016456
1'-[(2-chlorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46014824
3-[(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 62850026
3-[[5'-chloro-3-(2-methylpropanoyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]benzonitrile
CID 46017386
3-[(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 82148682

Frequently Asked Questions

What is the IUPAC name of 3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile?
The IUPAC name of 3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile (CID 24714519) is 3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile.
What is the SMILES notation for 3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile?
The canonical SMILES for 3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile is Cc1ccc2c(c1)C1(NCCS1)C(=O)N2Cc1cccc(C#N)c1.
What is the InChIKey of 3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile?
The InChIKey is XUUNMRCHICXABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13-5-6-17-16(9-13)19(21-7-8-24-19)18(23)22(17)12-15-4-2-3-14(10-15)11-20/h2-6,9-10,21H,7-8,12H2,1H3.
What are the key properties of 3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile?
3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile has a molecular weight of 335.43 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5'-methyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl)methyl]benzonitrile is sourced from PubChem (CID 24714519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).