(5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C18H14FNO4S — CID 144721168

IUPAC(5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](Cc2ccc(OCC(=O)c3ccccc3F)cc2)S1
InChIInChI=1S/C18H14FNO4S/c19-14-4-2-1-3-13(14)15(21)10-24-12-7-5-11(6-8-12)9-16-17(22)20-18(23)25-16/h1-8,16H,9-10H2,(H,20,22,23)/t16-/m1/s1
InChIKeyOXHSWPDYQGAFEI-MRXNPFEDSA-N
MW359.38 g/mol
LogP2.98
Rot. Bonds6

About (5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

(5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 144721168) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is (5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID144721168
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Name(5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](Cc2ccc(OCC(=O)c3ccccc3F)cc2)S1
InChIInChI=1S/C18H14FNO4S/c19-14-4-2-1-3-13(14)15(21)10-24-12-7-5-11(6-8-12)9-16-17(22)20-18(23)25-16/h1-8,16H,9-10H2,(H,20,22,23)/t16-/m1/s1
InChIKeyOXHSWPDYQGAFEI-MRXNPFEDSA-N
XLogP2.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[2-(2-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230336
5-[[4-[2-(3-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 25230267
5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl] 2-(2-fluorophenyl)acetate
CID 87328991
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[[4-[2-[4-(1,1-difluoropropoxy)phenyl]-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 130308020
5-[[4-[5-[3-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416604
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
5-[[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidin-4-one
CID 170008693
3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]propanal
CID 10492928
5-[[4-(4-bromobutoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141462409
2-[4-(4-fluorobenzoyl)phenoxy]-1-(2-fluorophenyl)ethanone
CID 2086964

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 144721168) is (5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)[C@@H](Cc2ccc(OCC(=O)c3ccccc3F)cc2)S1.
What is the InChIKey of (5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is OXHSWPDYQGAFEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H14FNO4S/c19-14-4-2-1-3-13(14)15(21)10-24-12-7-5-11(6-8-12)9-16-17(22)20-18(23)25-16/h1-8,16H,9-10H2,(H,20,22,23)/t16-/m1/s1.
What are the key properties of (5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
(5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 359.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-[2-(2-fluorophenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 144721168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).