3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

C17H12Cl2N2O2S — CID 2732551

IUPAC3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCC1SC2(C(=O)Nc3ccccc32)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C17H12Cl2N2O2S/c1-9-15(22)21(12-7-10(18)6-11(19)8-12)17(24-9)13-4-2-3-5-14(13)20-16(17)23/h2-9H,1H3,(H,20,23)
InChIKeyBINHHFNPUZWVNW-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.27
Rot. Bonds1

About 3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione

3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 2732551) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID2732551
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESCC1SC2(C(=O)Nc3ccccc32)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C17H12Cl2N2O2S/c1-9-15(22)21(12-7-10(18)6-11(19)8-12)17(24-9)13-4-2-3-5-14(13)20-16(17)23/h2-9H,1H3,(H,20,23)
InChIKeyBINHHFNPUZWVNW-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 2732551) is 3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is CC1SC2(C(=O)Nc3ccccc32)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is BINHHFNPUZWVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c1-9-15(22)21(12-7-10(18)6-11(19)8-12)17(24-9)13-4-2-3-5-14(13)20-16(17)23/h2-9H,1H3,(H,20,23).
What are the key properties of 3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione has a molecular weight of 379.27 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 2732551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).