N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C17H13N5O3S2 — CID 3985125

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3985125) has the molecular formula C17H13N5O3S2 and a molecular weight of 399.46 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 3985125
• Molecular Formula: C17H13N5O3S2
• Molecular Weight: 399.46 g/mol
• Exact Mass: 399.05
• IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: COc1ccc2nc(NC(=O)CSc3nnc(-c4ccccn4)o3)sc2c1
• InChI: InChI=1S/C17H13N5O3S2/c1-24-10-5-6-11-13(8-10)27-16(19-11)20-14(23)9-26-17-22-21-15(25-17)12-4-2-3-7-18-12/h2-8H,9H2,1H3,(H,19,20,23)
• InChIKey: JKJDNEGACOXLAC-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 103.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.46
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3985125) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(NC(=O)CSc3nnc(-c4ccccn4)o3)sc2c1.

What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is JKJDNEGACOXLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S2/c1-24-10-5-6-11-13(8-10)27-16(19-11)20-14(23)9-26-17-22-21-15(25-17)12-4-2-3-7-18-12/h2-8H,9H2,1H3,(H,19,20,23).

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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 399.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3985125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).