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

C23H16ClFN2O2S — CID 42558804

IUPAC(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1ccc(F)cc1
InChIInChI=1S/C23H16ClFN2O2S/c24-19-7-3-1-5-15(19)13-26-20-8-4-2-6-18(20)23(22(26)29)27(21(28)14-30-23)17-11-9-16(25)10-12-17/h1-12H,13-14H2/t23-/m0/s1
InChIKeyCLPVCGRHJNNNMO-QHCPKHFHSA-N
MW438.91 g/mol
LogP4.96
Rot. Bonds3

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

(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 42558804) has the molecular formula C23H16ClFN2O2S and a molecular weight of 438.91 g/mol. Its IUPAC name is (2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID42558804
Molecular FormulaC23H16ClFN2O2S
Molecular Weight438.91 g/mol
Exact Mass438.06
IUPAC Name(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESO=C1CS[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1ccc(F)cc1
InChIInChI=1S/C23H16ClFN2O2S/c24-19-7-3-1-5-15(19)13-26-20-8-4-2-6-18(20)23(22(26)29)27(21(28)14-30-23)17-11-9-16(25)10-12-17/h1-12H,13-14H2/t23-/m0/s1
InChIKeyCLPVCGRHJNNNMO-QHCPKHFHSA-N
XLogP4.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione with MolForge

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Related Compounds

1'-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 17138852
(2S,5S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-5-methylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42586587
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 7245556
3-(4-fluorophenyl)-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922317
1'-[(4-chlorophenyl)methyl]-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 3263594
3-(3,5-dimethoxyphenyl)-1'-[(4-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922167
3-(4-methoxyphenyl)-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 171321059
(2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 40774665
3-(4-bromophenyl)-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922181
(2S)-1'-[(4-benzylpiperidin-1-yl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 92515544
3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922117
(2S)-1'-acetyl-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42554574

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 42558804) is (2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is O=C1CS[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N1c1ccc(F)cc1.
What is the InChIKey of (2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is CLPVCGRHJNNNMO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H16ClFN2O2S/c24-19-7-3-1-5-15(19)13-26-20-8-4-2-6-18(20)23(22(26)29)27(21(28)14-30-23)17-11-9-16(25)10-12-17/h1-12H,13-14H2/t23-/m0/s1.
What are the key properties of (2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 438.91 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 42558804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).