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

C25H21FN2O2S — CID 93186144

IUPAC(2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccc(C(=O)N2CCS[C@@]23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1
InChIInChI=1S/C25H21FN2O2S/c1-17-9-11-19(12-10-17)23(29)28-13-14-31-25(28)21-7-2-3-8-22(21)27(24(25)30)16-18-5-4-6-20(26)15-18/h2-12,15H,13-14,16H2,1H3/t25-/m0/s1
InChIKeyIDDGBJXCNFZNAJ-VWLOTQADSA-N
MW432.52 g/mol
LogP4.72
Rot. Bonds3

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

(2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93186144) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is (2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93186144
Molecular FormulaC25H21FN2O2S
Molecular Weight432.52 g/mol
Exact Mass432.13
IUPAC Name(2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccc(C(=O)N2CCS[C@@]23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1
InChIInChI=1S/C25H21FN2O2S/c1-17-9-11-19(12-10-17)23(29)28-13-14-31-25(28)21-7-2-3-8-22(21)27(24(25)30)16-18-5-4-6-20(26)15-18/h2-12,15H,13-14,16H2,1H3/t25-/m0/s1
InChIKeyIDDGBJXCNFZNAJ-VWLOTQADSA-N
XLogP4.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016820
3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016784
(2R)-3-benzoyl-1'-[(3-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186378
(2S)-5'-fluoro-3-(4-methylbenzoyl)-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186545
1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016414
5'-fluoro-3-(4-methylbenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016944
1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016813
1'-[(3,4-difluorophenyl)methyl]-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017271
(2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186126
1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016823
(2R)-N-(3-fluorophenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184644
3-(4-chlorobenzoyl)-1'-[(3,4-difluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017282

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93186144) is (2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is Cc1ccc(C(=O)N2CCS[C@@]23C(=O)N(Cc2cccc(F)c2)c2ccccc23)cc1.
What is the InChIKey of (2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is IDDGBJXCNFZNAJ-VWLOTQADSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c1-17-9-11-19(12-10-17)23(29)28-13-14-31-25(28)21-7-2-3-8-22(21)27(24(25)30)16-18-5-4-6-20(26)15-18/h2-12,15H,13-14,16H2,1H3/t25-/m0/s1.
What are the key properties of (2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 432.52 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93186144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).