(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione

C26H24FN3O4S — CID 41144002

IUPAC(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCS[C@@H]4c4ccccc4F)C3=O)ccc2c1
InChIInChI=1S/C26H24FN3O4S/c1-26(18-9-7-17-14-19(34-2)10-8-16(17)13-18)24(32)30(25(33)28-26)15-22(31)29-11-12-35-23(29)20-5-3-4-6-21(20)27/h3-10,13-14,23H,11-12,15H2,1-2H3,(H,28,33)/t23-,26+/m1/s1
InChIKeyJYTHZMLMUREJEE-BVAGGSTKSA-N
MW493.56 g/mol
LogP4.03
Rot. Bonds5

About (5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione

(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 41144002) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is (5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
PubChem CID41144002
Molecular FormulaC26H24FN3O4S
Molecular Weight493.56 g/mol
Exact Mass493.15
IUPAC Name(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCS[C@@H]4c4ccccc4F)C3=O)ccc2c1
InChIInChI=1S/C26H24FN3O4S/c1-26(18-9-7-17-14-19(34-2)10-8-16(17)13-18)24(32)30(25(33)28-26)15-22(31)29-11-12-35-23(29)20-5-3-4-6-21(20)27/h3-10,13-14,23H,11-12,15H2,1-2H3,(H,28,33)/t23-,26+/m1/s1
InChIKeyJYTHZMLMUREJEE-BVAGGSTKSA-N
XLogP4.03
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767243
(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 40767239
(5S)-3-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 41311848
(5S)-3-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41176561
2-[(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2477643
(5R)-3-[2-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 41170266
(5R)-5-(6-methoxynaphthalen-2-yl)-5-methyl-3-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]imidazolidine-2,4-dione
CID 41176825
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55342804
5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42937258
2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2098354
3-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 45354786
N-(2-fluorophenyl)-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40841028

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione (CID 41144002) is (5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione is COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)N4CCS[C@@H]4c4ccccc4F)C3=O)ccc2c1.
What is the InChIKey of (5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is JYTHZMLMUREJEE-BVAGGSTKSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c1-26(18-9-7-17-14-19(34-2)10-8-16(17)13-18)24(32)30(25(33)28-26)15-22(31)29-11-12-35-23(29)20-5-3-4-6-21(20)27/h3-10,13-14,23H,11-12,15H2,1-2H3,(H,28,33)/t23-,26+/m1/s1.
What are the key properties of (5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 493.56 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 41144002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).