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

C22H17FN2O3S — CID 46016813

IUPAC1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C(c1ccco1)N1CCSC12C(=O)N(Cc1cccc(F)c1)c1ccccc12
InChIInChI=1S/C22H17FN2O3S/c23-16-6-3-5-15(13-16)14-24-18-8-2-1-7-17(18)22(21(24)27)25(10-12-29-22)20(26)19-9-4-11-28-19/h1-9,11,13H,10,12,14H2
InChIKeyKZUZXNDYAJYVPO-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.01
Rot. Bonds3

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

1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46016813) has the molecular formula C22H17FN2O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is 1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46016813
Molecular FormulaC22H17FN2O3S
Molecular Weight408.45 g/mol
Exact Mass408.09
IUPAC Name1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C(c1ccco1)N1CCSC12C(=O)N(Cc1cccc(F)c1)c1ccccc12
InChIInChI=1S/C22H17FN2O3S/c23-16-6-3-5-15(13-16)14-24-18-8-2-1-7-17(18)22(21(24)27)25(10-12-29-22)20(26)19-9-4-11-28-19/h1-9,11,13H,10,12,14H2
InChIKeyKZUZXNDYAJYVPO-UHFFFAOYSA-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

(2R)-1'-[(4-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180622
(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-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016820
(2S)-1'-[(3-fluorophenyl)methyl]-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186144
1'-[(3-fluorophenyl)methyl]-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016823
1'-[(3-fluorophenyl)methyl]-N-(4-methylphenyl)-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46016414
(2R)-1'-[(3,4-difluorophenyl)methyl]-3-(furan-2-carbonyl)-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187502
(2R)-3-benzoyl-1'-[(3-fluorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186378
1'-[(3,4-difluorophenyl)methyl]-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017271
(2R)-N-(3-fluorophenyl)-1'-[(3-methylphenyl)methyl]-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93184644
(2S)-1'-[(3-fluorophenyl)methyl]-5'-methoxy-3-(2-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187023
(2R)-3-(cyclopentanecarbonyl)-5'-fluoro-1'-[(3-fluorophenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186578

Frequently Asked Questions

What is the IUPAC name of 1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46016813) is 1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is O=C(c1ccco1)N1CCSC12C(=O)N(Cc1cccc(F)c1)c1ccccc12.
What is the InChIKey of 1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is KZUZXNDYAJYVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S/c23-16-6-3-5-15(13-16)14-24-18-8-2-1-7-17(18)22(21(24)27)25(10-12-29-22)20(26)19-9-4-11-28-19/h1-9,11,13H,10,12,14H2.
What are the key properties of 1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-[(3-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 1'-[(3-fluorophenyl)methyl]-3-(furan-2-carbonyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46016813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).