2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid

C19H16N2O4S — CID 11222396

IUPAC2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid
SMILESCc1cc(C)c2c(c1)C1(SCC(=O)N1c1ccccc1C(=O)O)C(=O)N2
InChIInChI=1S/C19H16N2O4S/c1-10-7-11(2)16-13(8-10)19(18(25)20-16)21(15(22)9-26-19)14-6-4-3-5-12(14)17(23)24/h3-8H,9H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyXMRYBVUMPUMRBZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.89
Rot. Bonds2

About 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid

2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid (PubChem CID 11222396) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid.

Molecular Properties

Compound Name2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid
PubChem CID11222396
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid
SMILESCc1cc(C)c2c(c1)C1(SCC(=O)N1c1ccccc1C(=O)O)C(=O)N2
InChIInChI=1S/C19H16N2O4S/c1-10-7-11(2)16-13(8-10)19(18(25)20-16)21(15(22)9-26-19)14-6-4-3-5-12(14)17(23)24/h3-8H,9H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyXMRYBVUMPUMRBZ-UHFFFAOYSA-N
XLogP2.89
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid with MolForge

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Related Compounds

3-{[5-(2,4-Dimethylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl}benzoic acid
CID 3615552
2-(2-((Z)-2,4-dioxo-5-((E)-3-phenylallylidene)thiazolidin-3-yl)acetamido)benzoic acid
CID 1390457
4-[[1'-(Cyclohexanecarbonyl)-5'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-3-yl]methyl]benzoic acid
CID 168281587
2-[4-[(2S)-2-acetamido-3-[[(1R)-1-carboxy-3-methylsulfanylpropyl]amino]-3-oxopropyl]-2-ethyl-N-oxaloanilino]benzoic acid
CID 76329706
2-[(2,4-Dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoic acid
CID 2830891
2-[(6-Fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-5-methylbenzoic acid
CID 90089634
Ethyl 4-(2,4'-dioxospiro[indoline-3,2'-thiazolidin]-3'-yl)benzoate
CID 2876784
4-(5'-fluoro-2',4-dioxospiro[1,3-thiazinane-2,3'-1H-indole]-3-yl)benzoic acid
CID 57522834
4-[2',4-dioxo-5'-(trifluoromethyl)spiro[1,3-thiazinane-2,3'-1H-indole]-3-yl]benzoic acid
CID 57522835
4-(5'-fluoro-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid
CID 57522836
2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-5-methylbenzoic acid
CID 742625
2-[(2,4-Dioxo-3-phenyl-1,3-thiazolidin-5-yl)-methylamino]benzoic acid
CID 2872028

Frequently Asked Questions

What is the IUPAC name of 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid?
The IUPAC name of 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid (CID 11222396) is 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid.
What is the SMILES notation for 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid?
The canonical SMILES for 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid is Cc1cc(C)c2c(c1)C1(SCC(=O)N1c1ccccc1C(=O)O)C(=O)N2.
What is the InChIKey of 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid?
The InChIKey is XMRYBVUMPUMRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-10-7-11(2)16-13(8-10)19(18(25)20-16)21(15(22)9-26-19)14-6-4-3-5-12(14)17(23)24/h3-8H,9H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid?
2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid has a molecular weight of 368.41 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5',7'-dimethyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-1H-indole]-3-yl)benzoic acid is sourced from PubChem (CID 11222396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).