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

C24H18ClFN2O2S — CID 42586587

IUPAC(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESC[C@@H]1S[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C24H18ClFN2O2S/c1-15-22(29)28(18-12-10-17(26)11-13-18)24(31-15)19-7-3-5-9-21(19)27(23(24)30)14-16-6-2-4-8-20(16)25/h2-13,15H,14H2,1H3/t15-,24-/m0/s1
InChIKeySPVJLOUABDYLHY-OWJWWREXSA-N
MW452.94 g/mol
LogP5.35
Rot. Bonds3

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

(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 42586587) has the molecular formula C24H18ClFN2O2S and a molecular weight of 452.94 g/mol. Its IUPAC name is (2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID42586587
Molecular FormulaC24H18ClFN2O2S
Molecular Weight452.94 g/mol
Exact Mass452.08
IUPAC Name(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESC[C@@H]1S[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C24H18ClFN2O2S/c1-15-22(29)28(18-12-10-17(26)11-13-18)24(31-15)19-7-3-5-9-21(19)27(23(24)30)14-16-6-2-4-8-20(16)25/h2-13,15H,14H2,1H3/t15-,24-/m0/s1
InChIKeySPVJLOUABDYLHY-OWJWWREXSA-N
XLogP5.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.94
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42558804
(2R,5R)-3-(3-chlorophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586572
(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)-1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 25300750
ethyl 1-[[(2R,5S)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate
CID 1281809
ethyl 1-[[(2S,5R)-3-(4-fluorophenyl)-5-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]methyl]piperidine-4-carboxylate
CID 1281808
1'-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 17138852
(2S,5R)-3-(3-bromophenyl)-1'-[(4-chlorophenyl)methyl]-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586568
(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
(2R)-1'-[(2-chlorophenyl)methyl]-N-(4-fluorophenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93181878
(2R,5R)-3-(4-ethoxyphenyl)-5-methyl-1'-(piperidin-1-ylmethyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 1201972
(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,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 42586587) is (2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is C[C@@H]1S[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of (2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is SPVJLOUABDYLHY-OWJWWREXSA-N. The full InChI is InChI=1S/C24H18ClFN2O2S/c1-15-22(29)28(18-12-10-17(26)11-13-18)24(31-15)19-7-3-5-9-21(19)27(23(24)30)14-16-6-2-4-8-20(16)25/h2-13,15H,14H2,1H3/t15-,24-/m0/s1.
What are the key properties of (2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 452.94 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 42586587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).