(5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C24H20FNO3S — CID 126148882

IUPAC(5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S[C@@H](Cc2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H20FNO3S/c25-20-12-6-4-11-19(20)16-29-21-13-7-5-10-18(21)14-22-23(27)26(24(28)30-22)15-17-8-2-1-3-9-17/h1-13,22H,14-16H2/t22-/m0/s1
InChIKeyDVCPDNLRKYKFJC-QFIPXVFZSA-N
MW421.49 g/mol
LogP5.21
Rot. Bonds7

About (5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

(5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 126148882) has the molecular formula C24H20FNO3S and a molecular weight of 421.49 g/mol. Its IUPAC name is (5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID126148882
Molecular FormulaC24H20FNO3S
Molecular Weight421.49 g/mol
Exact Mass421.11
IUPAC Name(5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1S[C@@H](Cc2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H20FNO3S/c25-20-12-6-4-11-19(20)16-29-21-13-7-5-10-18(21)14-22-23(27)26(24(28)30-22)15-17-8-2-1-3-9-17/h1-13,22H,14-16H2/t22-/m0/s1
InChIKeyDVCPDNLRKYKFJC-QFIPXVFZSA-N
XLogP5.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-benzyl-5-[(2-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126155945
(5S)-5-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126150745
(5S)-3-[(4-chlorophenyl)methyl]-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 126169022
(5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156151
(5R)-5-benzyl-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126150111
(5S)-3-benzyl-5-[(5-bromo-2,4-diethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126153714
(5R)-5-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 126146865
(5S)-5-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126153943
(5R)-5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126169021
(5S)-5-[[3,5-dibromo-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126153429
(5R)-5-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126146906
(5R)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126156292

Frequently Asked Questions

What is the IUPAC name of (5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 126148882) is (5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1S[C@@H](Cc2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is DVCPDNLRKYKFJC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H20FNO3S/c25-20-12-6-4-11-19(20)16-29-21-13-7-5-10-18(21)14-22-23(27)26(24(28)30-22)15-17-8-2-1-3-9-17/h1-13,22H,14-16H2/t22-/m0/s1.
What are the key properties of (5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
(5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 421.49 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-benzyl-5-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126148882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).