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

C17H12Cl2N2O2S — CID 7118279

IUPAC(2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESC[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H12Cl2N2O2S/c1-9-15(22)21(10-6-7-12(18)13(19)8-10)17(24-9)11-4-2-3-5-14(11)20-16(17)23/h2-9H,1H3,(H,20,23)/t9-,17+/m1/s1
InChIKeyXUFNHOAVBYEEBT-XLFHBGCDSA-N
MW379.27 g/mol
LogP4.27
Rot. Bonds1

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

(2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (PubChem CID 7118279) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is (2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name(2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
PubChem CID7118279
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name(2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
SMILESC[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C17H12Cl2N2O2S/c1-9-15(22)21(10-6-7-12(18)13(19)8-10)17(24-9)11-4-2-3-5-14(11)20-16(17)23/h2-9H,1H3,(H,20,23)/t9-,17+/m1/s1
InChIKeyXUFNHOAVBYEEBT-XLFHBGCDSA-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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Related Compounds

(2R,5R)-3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7218142
3-(3,5-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 2732551
5'-bromo-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 102552108
(2R,5R)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722274
(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722521
(2R,5S)-3-(4-methoxyphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 902536
(2S,5S)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 100817082
(2S,5S)-5-methyl-3-[4-(trifluoromethoxy)phenyl]spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7322135
3',6'-diphenylspiro[1H-indole-3,5'-3,3a-dihydro-[1,3]thiazolo[4,5-c][1,2]oxazole]-2-one
CID 11711039
3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 2976227
(4R)-3-(3,4-dichlorophenyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-4-hydroxy-2-oxo-1H-quinazoline-4-carboxamide
CID 124772818
(2R)-3-(3-chlorophenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 702156

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The IUPAC name of (2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione (CID 7118279) is (2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for (2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for (2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of (2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
The InChIKey is XUFNHOAVBYEEBT-XLFHBGCDSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c1-9-15(22)21(10-6-7-12(18)13(19)8-10)17(24-9)11-4-2-3-5-14(11)20-16(17)23/h2-9H,1H3,(H,20,23)/t9-,17+/m1/s1.
What are the key properties of (2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione?
(2S,5R)-3-(3,4-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 (2S,5R)-3-(3,4-dichlorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 7118279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).