N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide

C15H17N3O4S — CID 110685502

About N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide (PubChem CID 110685502) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide.

Molecular Properties

• Compound Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
• PubChem CID: 110685502
• Molecular Formula: C15H17N3O4S
• Molecular Weight: 335.39 g/mol
• Exact Mass: 335.09
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
• SMILES: COc1ccc2nc(NC(=O)CCC3CN(C)C(=O)O3)sc2c1
• InChI: InChI=1S/C15H17N3O4S/c1-18-8-10(22-15(18)20)4-6-13(19)17-14-16-11-5-3-9(21-2)7-12(11)23-14/h3,5,7,10H,4,6,8H2,1-2H3,(H,16,17,19)
• InChIKey: GTUQVWRHHVHDJX-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.39
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?

The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide (CID 110685502) is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide.

What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?

The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide is COc1ccc2nc(NC(=O)CCC3CN(C)C(=O)O3)sc2c1.

What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?

The InChIKey is GTUQVWRHHVHDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-18-8-10(22-15(18)20)4-6-13(19)17-14-16-11-5-3-9(21-2)7-12(11)23-14/h3,5,7,10H,4,6,8H2,1-2H3,(H,16,17,19).

What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide?

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide has a molecular weight of 335.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide is sourced from PubChem (CID 110685502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).