(2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C24H18BrClN2O2S — CID 42586568

IUPAC(2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESC[C@H]1S[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N(c2cccc(Br)c2)C1=O
InChIInChI=1S/C24H18BrClN2O2S/c1-15-22(29)28(19-6-4-5-17(25)13-19)24(31-15)20-7-2-3-8-21(20)27(23(24)30)14-16-9-11-18(26)12-10-16/h2-13,15H,14H2,1H3/t15-,24+/m1/s1
InChIKeyPKBNWZISRVOVAN-MYYSRTQBSA-N
MW513.84 g/mol
LogP5.97
Rot. Bonds3

About (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 42586568) has the molecular formula C24H18BrClN2O2S and a molecular weight of 513.84 g/mol. Its IUPAC name is (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID42586568
Molecular FormulaC24H18BrClN2O2S
Molecular Weight513.84 g/mol
Exact Mass512.00
IUPAC Name(2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESC[C@H]1S[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N(c2cccc(Br)c2)C1=O
InChIInChI=1S/C24H18BrClN2O2S/c1-15-22(29)28(19-6-4-5-17(25)13-19)24(31-15)20-7-2-3-8-21(20)27(23(24)30)14-16-9-11-18(26)12-10-16/h2-13,15H,14H2,1H3/t15-,24+/m1/s1
InChIKeyPKBNWZISRVOVAN-MYYSRTQBSA-N
XLogP5.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.84
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5R)-3-(3-chlorophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586572
(2S,5S)-1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 25300750
(2R,5S)-1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 25300748
(2S,5S)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722521
(2R,5R)-3-(3-bromophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7722274
(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586587
(2R,5R)-3-(4-chlorophenyl)-1'-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 27235072
1'-[(4-chlorophenyl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3263594
(2S,5S)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 98228413
(2R,5R)-1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-dibenzofuran-3-yl-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 98228410
1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922138
(2R,5S)-1'-acetyl-5-methyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586538

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 42586568) is (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is C[C@H]1S[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N(c2cccc(Br)c2)C1=O.
What is the InChIKey of (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is PKBNWZISRVOVAN-MYYSRTQBSA-N. The full InChI is InChI=1S/C24H18BrClN2O2S/c1-15-22(29)28(19-6-4-5-17(25)13-19)24(31-15)20-7-2-3-8-21(20)27(23(24)30)14-16-9-11-18(26)12-10-16/h2-13,15H,14H2,1H3/t15-,24+/m1/s1.
What are the key properties of (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 513.84 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 42586568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).