(2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C19H18N2O2S — CID 7245471

IUPAC(2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CS[C@]23C(=O)N(C)c2ccccc23)cc1C
InChIInChI=1S/C19H18N2O2S/c1-12-8-9-14(10-13(12)2)21-17(22)11-24-19(21)15-6-4-5-7-16(15)20(3)18(19)23/h4-10H,11H2,1-3H3/t19-/m1/s1
InChIKeyWUQAKLHYHWZXOT-LJQANCHMSA-N
MW338.43 g/mol
LogP3.21
Rot. Bonds1

About (2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 7245471) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID7245471
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)CS[C@]23C(=O)N(C)c2ccccc23)cc1C
InChIInChI=1S/C19H18N2O2S/c1-12-8-9-14(10-13(12)2)21-17(22)11-24-19(21)15-6-4-5-7-16(15)20(3)18(19)23/h4-10H,11H2,1-3H3/t19-/m1/s1
InChIKeyWUQAKLHYHWZXOT-LJQANCHMSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1'-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 40660267
3-(3,4-difluorophenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922099
1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922138
(2R)-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7099773
N-(3,4-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922352
N-(2,4-difluorophenyl)-2-[(2R)-3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608204
(2S)-3-(3-chloro-4-methylphenyl)-1'-(morpholin-4-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 97464897
N-(3,4-dimethylphenyl)-2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92691956
1'-acetyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750665
(2R)-1'-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-naphthalen-2-ylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 2295668
1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 16765542
2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922252

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 7245471) is (2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is Cc1ccc(N2C(=O)CS[C@]23C(=O)N(C)c2ccccc23)cc1C.
What is the InChIKey of (2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is WUQAKLHYHWZXOT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-12-8-9-14(10-13(12)2)21-17(22)11-24-19(21)15-6-4-5-7-16(15)20(3)18(19)23/h4-10H,11H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 338.43 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,4-dimethylphenyl)-1'-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 7245471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).