1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C25H20ClFN2O2S — CID 46016903

IUPAC1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)C1(SCCN1C(=O)c1cccc(F)c1)C(=O)N2Cc1ccccc1Cl
InChIInChI=1S/C25H20ClFN2O2S/c1-16-9-10-22-20(13-16)25(24(31)28(22)15-18-5-2-3-8-21(18)26)29(11-12-32-25)23(30)17-6-4-7-19(27)14-17/h2-10,13-14H,11-12,15H2,1H3
InChIKeyDPVFGDNURBGIAM-UHFFFAOYSA-N
MW466.97 g/mol
LogP5.38
Rot. Bonds3

About 1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46016903) has the molecular formula C25H20ClFN2O2S and a molecular weight of 466.97 g/mol. Its IUPAC name is 1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46016903
Molecular FormulaC25H20ClFN2O2S
Molecular Weight466.97 g/mol
Exact Mass466.09
IUPAC Name1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCc1ccc2c(c1)C1(SCCN1C(=O)c1cccc(F)c1)C(=O)N2Cc1ccccc1Cl
InChIInChI=1S/C25H20ClFN2O2S/c1-16-9-10-22-20(13-16)25(24(31)28(22)15-18-5-2-3-8-21(18)26)29(11-12-32-25)23(30)17-6-4-7-19(27)14-17/h2-10,13-14H,11-12,15H2,1H3
InChIKeyDPVFGDNURBGIAM-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016977
3-acetyl-1'-[(2-chlorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016894
(2R)-3-benzoyl-1'-[(3-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186378
(2S)-1'-[(2-chlorophenyl)methyl]-5'-methyl-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186439
1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016983
5'-chloro-3-(3-fluorobenzoyl)-1'-[(3-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017038
(2S)-1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187053
1'-[(2-chlorophenyl)methyl]-5'-methyl-N-(3-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016467
(2R)-1'-[(2,6-difluorophenyl)methyl]-3-(4-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187290
1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017183
(2R)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186622
(2S)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186603

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46016903) is 1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is Cc1ccc2c(c1)C1(SCCN1C(=O)c1cccc(F)c1)C(=O)N2Cc1ccccc1Cl.
What is the InChIKey of 1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is DPVFGDNURBGIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O2S/c1-16-9-10-22-20(13-16)25(24(31)28(22)15-18-5-2-3-8-21(18)26)29(11-12-32-25)23(30)17-6-4-7-19(27)14-17/h2-10,13-14H,11-12,15H2,1H3.
What are the key properties of 1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 466.97 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46016903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).