1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide

C16H17N5O3S — CID 90604360

About 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide (PubChem CID 90604360) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
• PubChem CID: 90604360
• Molecular Formula: C16H17N5O3S
• Molecular Weight: 359.41 g/mol
• Exact Mass: 359.11
• IUPAC Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
• SMILES: COc1ccc2nc(N3CC(C(=O)NCc4nc(C)no4)C3)sc2c1
• InChI: InChI=1S/C16H17N5O3S/c1-9-18-14(24-20-9)6-17-15(22)10-7-21(8-10)16-19-12-4-3-11(23-2)5-13(12)25-16/h3-5,10H,6-8H2,1-2H3,(H,17,22)
• InChIKey: FQPMEAGEEFPDSU-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.41
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?

The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide (CID 90604360) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide.

What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?

The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide is COc1ccc2nc(N3CC(C(=O)NCc4nc(C)no4)C3)sc2c1.

What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?

The InChIKey is FQPMEAGEEFPDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-9-18-14(24-20-9)6-17-15(22)10-7-21(8-10)16-19-12-4-3-11(23-2)5-13(12)25-16/h3-5,10H,6-8H2,1-2H3,(H,17,22).

What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 90604360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).