(2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C25H20ClFN2O2S — CID 40774665

IUPAC(2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1cc(C)cc(N2C(=O)CS[C@@]23C(=O)N(Cc2c(F)cccc2Cl)c2ccccc23)c1
InChIInChI=1S/C25H20ClFN2O2S/c1-15-10-16(2)12-17(11-15)29-23(30)14-32-25(29)19-6-3-4-9-22(19)28(24(25)31)13-18-20(26)7-5-8-21(18)27/h3-12H,13-14H2,1-2H3/t25-/m0/s1
InChIKeyLQIJPUFKGBYXCV-VWLOTQADSA-N
MW466.97 g/mol
LogP5.58
Rot. Bonds3

About (2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

(2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 40774665) has the molecular formula C25H20ClFN2O2S and a molecular weight of 466.97 g/mol. Its IUPAC name is (2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID40774665
Molecular FormulaC25H20ClFN2O2S
Molecular Weight466.97 g/mol
Exact Mass466.09
IUPAC Name(2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCc1cc(C)cc(N2C(=O)CS[C@@]23C(=O)N(Cc2c(F)cccc2Cl)c2ccccc23)c1
InChIInChI=1S/C25H20ClFN2O2S/c1-15-10-16(2)12-17(11-15)29-23(30)14-32-25(29)19-6-3-4-9-22(19)28(24(25)31)13-18-20(26)7-5-8-21(18)27/h3-12H,13-14H2,1-2H3/t25-/m0/s1
InChIKeyLQIJPUFKGBYXCV-VWLOTQADSA-N
XLogP5.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
3-(3-fluorophenyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922117
(2S)-1'-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 42558804
1'-[(4-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922138
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
(2R)-1'-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 27036649
2-[3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922252
N-(3,5-dimethylphenyl)-2-[(2R)-3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692127
N-(3,5-dimethylphenyl)-2-[(2S)-3-(3-methylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 92692126
3-(4-bromophenyl)-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20922181
4-[(2-chloro-6-fluorophenyl)methyl]-2-(3,5-dimethylphenyl)-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-one
CID 22588606

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 40774665) is (2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is Cc1cc(C)cc(N2C(=O)CS[C@@]23C(=O)N(Cc2c(F)cccc2Cl)c2ccccc23)c1.
What is the InChIKey of (2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is LQIJPUFKGBYXCV-VWLOTQADSA-N. The full InChI is InChI=1S/C25H20ClFN2O2S/c1-15-10-16(2)12-17(11-15)29-23(30)14-32-25(29)19-6-3-4-9-22(19)28(24(25)31)13-18-20(26)7-5-8-21(18)27/h3-12H,13-14H2,1-2H3/t25-/m0/s1.
What are the key properties of (2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
(2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 466.97 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethylphenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 40774665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).