N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide

C19H17N3O4S2 — CID 177310506

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (PubChem CID 177310506) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
• PubChem CID: 177310506
• Molecular Formula: C19H17N3O4S2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.07
• IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
• SMILES: COc1cc2nc(NC(=O)CSc3nc4cc(C)ccc4o3)sc2cc1OC
• InChI: InChI=1S/C19H17N3O4S2/c1-10-4-5-13-11(6-10)21-19(26-13)27-9-17(23)22-18-20-12-7-14(24-2)15(25-3)8-16(12)28-18/h4-8H,9H2,1-3H3,(H,20,22,23)
• InChIKey: HFONLXFIWWRCSN-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide (CID 177310506) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is COc1cc2nc(NC(=O)CSc3nc4cc(C)ccc4o3)sc2cc1OC.

What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?

The InChIKey is HFONLXFIWWRCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-10-4-5-13-11(6-10)21-19(26-13)27-9-17(23)22-18-20-12-7-14(24-2)15(25-3)8-16(12)28-18/h4-8H,9H2,1-3H3,(H,20,22,23).

What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide?

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide has a molecular weight of 415.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 177310506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).