ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate

C14H14N2O4S — CID 43842432

IUPACethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate
SMILESCCOC(=O)CN1C(=O)CSC12C(=O)Nc1ccccc12
InChIInChI=1S/C14H14N2O4S/c1-2-20-12(18)7-16-11(17)8-21-14(16)9-5-3-4-6-10(9)15-13(14)19/h3-6H,2,7-8H2,1H3,(H,15,19)
InChIKeyGLYGGRQLEHJWRW-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.93
Rot. Bonds3

About ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate

ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate (PubChem CID 43842432) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate
PubChem CID43842432
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Nameethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate
SMILESCCOC(=O)CN1C(=O)CSC12C(=O)Nc1ccccc12
InChIInChI=1S/C14H14N2O4S/c1-2-20-12(18)7-16-11(17)8-21-14(16)9-5-3-4-6-10(9)15-13(14)19/h3-6H,2,7-8H2,1H3,(H,15,19)
InChIKeyGLYGGRQLEHJWRW-UHFFFAOYSA-N
XLogP0.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7066927
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
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
ethyl 3-fluoro-2-oxo-1H-indole-3-carboxylate
CID 11195429
ethyl 3-(4-methoxybenzoyl)-2'-oxospiro[1,3-thiazolidine-2,3'-1H-indole]-4-carboxylate
CID 46015363
(2S)-3-(4-iodophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 1097329
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 1075542
methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate
CID 171497124
(2S)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702157
(2R)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702156
3-(4-methylphenyl)spiro[1,3-thiazinane-2,3'-1H-indole]-2',4-dione
CID 3858011

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate?
The IUPAC name of ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate (CID 43842432) is ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate?
The canonical SMILES for ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate is CCOC(=O)CN1C(=O)CSC12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate?
The InChIKey is GLYGGRQLEHJWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-2-20-12(18)7-16-11(17)8-21-14(16)9-5-3-4-6-10(9)15-13(14)19/h3-6H,2,7-8H2,1H3,(H,15,19).
What are the key properties of ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate?
ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate has a molecular weight of 306.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)acetate is sourced from PubChem (CID 43842432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).