(2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C17H14N2O2S — CID 7066927

IUPAC(2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C17H14N2O2S/c1-11-6-8-12(9-7-11)19-15(20)10-22-17(19)13-4-2-3-5-14(13)18-16(17)21/h2-9H,10H2,1H3,(H,18,21)/t17-/m0/s1
InChIKeyTWBARENAQAIMLL-KRWDZBQOSA-N
MW310.38 g/mol
LogP2.88
Rot. Bonds1

About (2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

(2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 7066927) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID7066927
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name(2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C17H14N2O2S/c1-11-6-8-12(9-7-11)19-15(20)10-22-17(19)13-4-2-3-5-14(13)18-16(17)21/h2-9H,10H2,1H3,(H,18,21)/t17-/m0/s1
InChIKeyTWBARENAQAIMLL-KRWDZBQOSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione
CID 3858011
(2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 1097329
(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7830115
3-(3-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 3152134
(2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7099773
(2R)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702156
(2S)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702157
3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 2976227
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 1075542
3-[4-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 50900835
3-[4-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 50900749
ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate
CID 43842432

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of (2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 7066927) is (2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for (2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for (2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is Cc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of (2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is TWBARENAQAIMLL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-11-6-8-12(9-7-11)19-15(20)10-22-17(19)13-4-2-3-5-14(13)18-16(17)21/h2-9H,10H2,1H3,(H,18,21)/t17-/m0/s1.
What are the key properties of (2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
(2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 310.38 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 7066927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).