4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one

C26H24N6O7S2 — CID 123171917

About 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one

4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one (PubChem CID 123171917) has the molecular formula C26H24N6O7S2 and a molecular weight of 596.65 g/mol. Its IUPAC name is 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one
• PubChem CID: 123171917
• Molecular Formula: C26H24N6O7S2
• Molecular Weight: 596.65 g/mol
• Exact Mass: 596.11
• IUPAC Name: 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one
• SMILES: CS(=O)(=O)C(c1nnc(Cc2[nH]c(=O)[nH]c2O)o1)c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1
• InChI: InChI=1S/C26H24N6O7S2/c1-41(36,37)21(23-31-30-20(39-23)13-18-22(33)29-26(35)28-18)24-27-17-7-6-16(12-19(17)40-24)14-2-4-15(5-3-14)25(34)32-8-10-38-11-9-32/h2-7,12,21,33H,8-11,13H2,1H3,(H2,28,29,35)
• InChIKey: IVHSLJXQFQCWJJ-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 184.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.65
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one (CID 123171917) is 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one is CS(=O)(=O)C(c1nnc(Cc2[nH]c(=O)[nH]c2O)o1)c1nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2s1.

What is the InChIKey of 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one?

The InChIKey is IVHSLJXQFQCWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O7S2/c1-41(36,37)21(23-31-30-20(39-23)13-18-22(33)29-26(35)28-18)24-27-17-7-6-16(12-19(17)40-24)14-2-4-15(5-3-14)25(34)32-8-10-38-11-9-32/h2-7,12,21,33H,8-11,13H2,1H3,(H2,28,29,35).

What are the key properties of 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one?

4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one has a molecular weight of 596.65 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 123171917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).