(2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C22H17FN2O3S — CID 93180622

IUPAC(2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C(c1ccco1)N1CCS[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C22H17FN2O3S/c23-16-9-7-15(8-10-16)14-24-18-5-2-1-4-17(18)22(21(24)27)25(11-13-29-22)20(26)19-6-3-12-28-19/h1-10,12H,11,13-14H2/t22-/m1/s1
InChIKeyPSLKUWNUJDRLDZ-JOCHJYFZSA-N
MW408.45 g/mol
LogP4.01
Rot. Bonds3

About (2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

(2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 93180622) has the molecular formula C22H17FN2O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is (2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID93180622
Molecular FormulaC22H17FN2O3S
Molecular Weight408.45 g/mol
Exact Mass408.09
IUPAC Name(2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C(c1ccco1)N1CCS[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12
InChIInChI=1S/C22H17FN2O3S/c23-16-9-7-15(8-10-16)14-24-18-5-2-1-4-17(18)22(21(24)27)25(11-13-29-22)20(26)19-6-3-12-28-19/h1-10,12H,11,13-14H2/t22-/m1/s1
InChIKeyPSLKUWNUJDRLDZ-JOCHJYFZSA-N
XLogP4.01
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016813
3-(4-fluorobenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016784
(2R)-1'-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180632
1'-[(3,4-difluorophenyl)methyl]-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017271
(2R)-1'-[(3,4-difluorophenyl)methyl]-3-(furan-2-carbonyl)-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187502
3-(4-chlorobenzoyl)-1'-[(3,4-difluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017282
1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016820
(2S)-1'-[(3-fluorophenyl)methyl]-3-(thiophene-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186126
(2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186144
(2S)-1'-[(2,6-difluorophenyl)methyl]-3-(2-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187185
1'-[(4-methylphenyl)methyl]-3-(2-methylpropanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 42839177
1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016823

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of (2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 93180622) is (2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for (2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for (2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is O=C(c1ccco1)N1CCS[C@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12.
What is the InChIKey of (2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is PSLKUWNUJDRLDZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H17FN2O3S/c23-16-9-7-15(8-10-16)14-24-18-5-2-1-4-17(18)22(21(24)27)25(11-13-29-22)20(26)19-6-3-12-28-19/h1-10,12H,11,13-14H2/t22-/m1/s1.
What are the key properties of (2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
(2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 408.45 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 93180622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).