3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one

C14H8F5NO2S — CID 6482984

IUPAC3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)c(F)c(F)c(F)c2F)N1Cc1ccco1
InChIInChI=1S/C14H8F5NO2S/c15-9-8(10(16)12(18)13(19)11(9)17)14-20(7(21)5-23-14)4-6-2-1-3-22-6/h1-3,14H,4-5H2
InChIKeySCQHBPNLFKZCJP-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.75
Rot. Bonds3

About 3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one

3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 6482984) has the molecular formula C14H8F5NO2S and a molecular weight of 349.28 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one
PubChem CID6482984
Molecular FormulaC14H8F5NO2S
Molecular Weight349.28 g/mol
Exact Mass349.02
IUPAC Name3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2c(F)c(F)c(F)c(F)c2F)N1Cc1ccco1
InChIInChI=1S/C14H8F5NO2S/c15-9-8(10(16)12(18)13(19)11(9)17)14-20(7(21)5-23-14)4-6-2-1-3-22-6/h1-3,14H,4-5H2
InChIKeySCQHBPNLFKZCJP-UHFFFAOYSA-N
XLogP3.75
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoic acid
CID 967754
(2R)-3-(furan-2-ylmethyl)-2-(1-phenylpyrrol-3-yl)-1,3-thiazolidin-4-one
CID 99964311
N-(2,6-difluorophenyl)-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 989334
(2R)-3-(furan-2-ylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazolidin-4-one
CID 124550291
N-ethyl-4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 967750
N-(2,4-difluorophenyl)-4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 5203194
(2S)-3-(furan-2-ylmethyl)-2-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964515
4-[3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 11837036
(2R)-2-[1-[(2-bromophenyl)methyl]triazol-4-yl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 99964550
(2R)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 92530307
(2S)-3-(furan-2-ylmethyl)-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-thiazolidin-4-one
CID 99964513
2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 42814442

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one (CID 6482984) is 3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2c(F)c(F)c(F)c(F)c2F)N1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is SCQHBPNLFKZCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO2S/c15-9-8(10(16)12(18)13(19)11(9)17)14-20(7(21)5-23-14)4-6-2-1-3-22-6/h1-3,14H,4-5H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one?
3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 349.28 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6482984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).