2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one

C17H13FN2OS — CID 58229147

IUPAC2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1c1ccc2c(c1)CC=N2
InChIInChI=1S/C17H13FN2OS/c18-13-3-1-11(2-4-13)17-20(16(21)10-22-17)14-5-6-15-12(9-14)7-8-19-15/h1-6,8-9,17H,7,10H2
InChIKeyRSEBITMXYDYVEU-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.86
Rot. Bonds2

About 2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one

2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 58229147) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one
PubChem CID58229147
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1c1ccc2c(c1)CC=N2
InChIInChI=1S/C17H13FN2OS/c18-13-3-1-11(2-4-13)17-20(16(21)10-22-17)14-5-6-15-12(9-14)7-8-19-15/h1-6,8-9,17H,7,10H2
InChIKeyRSEBITMXYDYVEU-UHFFFAOYSA-N
XLogP3.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 741588
2-(3-aminophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 42803978
2-(4-chlorophenyl)-3-(3-fluorophenyl)-1,3-thiazolidin-4-one
CID 4232760
3-(3-chlorophenyl)-2-(3,4-difluorophenyl)-1,3-thiazolidin-4-one
CID 3370393
3-(4-bromo-2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 130385863
2-(3,4-difluorophenyl)-3-(4-iodophenyl)-1,3-thiazolidin-4-one
CID 4133056
3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 4194179
(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
3-(3,4-dimethoxy-5-methylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 130395733
3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea
CID 46132400
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326
3-(3-fluorophenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 5011010

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one (CID 58229147) is 2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)cc2)N1c1ccc2c(c1)CC=N2.
What is the InChIKey of 2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is RSEBITMXYDYVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c18-13-3-1-11(2-4-13)17-20(16(21)10-22-17)14-5-6-15-12(9-14)7-8-19-15/h1-6,8-9,17H,7,10H2.
What are the key properties of 2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 312.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(3H-indol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 58229147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).