5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione

C20H18N6O6S2 — CID 72944729

IUPAC5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1-c1ccc2nc(C(c3nnc(CC4NC(=O)NC4=O)o3)S(C)(=O)=O)sc2c1
InChIInChI=1S/C20H18N6O6S2/c1-8-15(9(2)32-26-8)10-4-5-11-13(6-10)33-19(21-11)16(34(3,29)30)18-25-24-14(31-18)7-12-17(27)23-20(28)22-12/h4-6,12,16H,7H2,1-3H3,(H2,22,23,27,28)
InChIKeyFFQJEGIKZAFTBO-UHFFFAOYSA-N
MW502.53 g/mol
LogP1.84
Rot. Bonds6

About 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione

5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 72944729) has the molecular formula C20H18N6O6S2 and a molecular weight of 502.53 g/mol. Its IUPAC name is 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID72944729
Molecular FormulaC20H18N6O6S2
Molecular Weight502.53 g/mol
Exact Mass502.07
IUPAC Name5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1-c1ccc2nc(C(c3nnc(CC4NC(=O)NC4=O)o3)S(C)(=O)=O)sc2c1
InChIInChI=1S/C20H18N6O6S2/c1-8-15(9(2)32-26-8)10-4-5-11-13(6-10)33-19(21-11)16(34(3,29)30)18-25-24-14(31-18)7-12-17(27)23-20(28)22-12/h4-6,12,16H,7H2,1-3H3,(H2,22,23,27,28)
InChIKeyFFQJEGIKZAFTBO-UHFFFAOYSA-N
XLogP1.84
TPSA170.18 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.53
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione (CID 72944729) is 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione is Cc1noc(C)c1-c1ccc2nc(C(c3nnc(CC4NC(=O)NC4=O)o3)S(C)(=O)=O)sc2c1.
What is the InChIKey of 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is FFQJEGIKZAFTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O6S2/c1-8-15(9(2)32-26-8)10-4-5-11-13(6-10)33-19(21-11)16(34(3,29)30)18-25-24-14(31-18)7-12-17(27)23-20(28)22-12/h4-6,12,16H,7H2,1-3H3,(H2,22,23,27,28).
What are the key properties of 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione?
5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 502.53 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-benzothiazol-2-yl]-methylsulfonylmethyl]-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72944729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).