(5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C17H19N3O4S2 — CID 40751131

IUPAC(5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)N[C@@H](CCS(C)(=O)=O)C3=O)cs2)cc1
InChIInChI=1S/C17H19N3O4S2/c1-11-3-5-12(6-4-11)15-18-13(10-25-15)9-20-16(21)14(19-17(20)22)7-8-26(2,23)24/h3-6,10,14H,7-9H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyAGNIUEWNLAXXBP-AWEZNQCLSA-N
MW393.49 g/mol
LogP1.97
Rot. Bonds6

About (5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione

(5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 40751131) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID40751131
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name(5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)N[C@@H](CCS(C)(=O)=O)C3=O)cs2)cc1
InChIInChI=1S/C17H19N3O4S2/c1-11-3-5-12(6-4-11)15-18-13(10-25-15)9-20-16(21)14(19-17(20)22)7-8-26(2,23)24/h3-6,10,14H,7-9H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyAGNIUEWNLAXXBP-AWEZNQCLSA-N
XLogP1.97
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 16765003
(5R)-5-(2-methylsulfonylethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 40880325
5-methyl-5-(2-methylphenyl)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56520840
(5S)-3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51537328
3'-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 55327301
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
(5R)-5-(2-methylsulfonylethyl)-3-phenacylimidazolidine-2,4-dione
CID 9166115
5-(2,5-dimethylfuran-3-yl)-5-methyl-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]imidazolidine-2,4-dione
CID 56522111
(5R)-3-(2-methylsulfonylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 95582364
[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062365
6-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122084145
2-(4-methylphenyl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968224

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 40751131) is (5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is Cc1ccc(-c2nc(CN3C(=O)N[C@@H](CCS(C)(=O)=O)C3=O)cs2)cc1.
What is the InChIKey of (5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is AGNIUEWNLAXXBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-11-3-5-12(6-4-11)15-18-13(10-25-15)9-20-16(21)14(19-17(20)22)7-8-26(2,23)24/h3-6,10,14H,7-9H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
(5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 393.49 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 40751131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).