N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

C15H15N5O3S2 — CID 135427762

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135427762) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
• PubChem CID: 135427762
• Molecular Formula: C15H15N5O3S2
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.06
• IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
• SMILES: CCOc1ccc2nc(NC(=O)CSc3nnc(C)c(=O)[nH]3)sc2c1
• InChI: InChI=1S/C15H15N5O3S2/c1-3-23-9-4-5-10-11(6-9)25-14(16-10)17-12(21)7-24-15-18-13(22)8(2)19-20-15/h4-6H,3,7H2,1-2H3,(H,16,17,21)(H,18,20,22)
• InChIKey: OWVLBFRTBHZYRY-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135427762) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is CCOc1ccc2nc(NC(=O)CSc3nnc(C)c(=O)[nH]3)sc2c1.

What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?

The InChIKey is OWVLBFRTBHZYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-3-23-9-4-5-10-11(6-9)25-14(16-10)17-12(21)7-24-15-18-13(22)8(2)19-20-15/h4-6H,3,7H2,1-2H3,(H,16,17,21)(H,18,20,22).

What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135427762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).