N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide

C18H22N4O2S — CID 20975233

About N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide

N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide (PubChem CID 20975233) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide.

Molecular Properties

• Compound Name: N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide
• PubChem CID: 20975233
• Molecular Formula: C18H22N4O2S
• Molecular Weight: 358.47 g/mol
• Exact Mass: 358.15
• IUPAC Name: N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide
• SMILES: CCc1cnc(NC(=O)CN2CC3CC(C2)c2cccc(=O)n2C3)s1
• InChI: InChI=1S/C18H22N4O2S/c1-2-14-7-19-18(25-14)20-16(23)11-21-8-12-6-13(10-21)15-4-3-5-17(24)22(15)9-12/h3-5,7,12-13H,2,6,8-11H2,1H3,(H,19,20,23)
• InChIKey: CHYQGJMCBHMDLT-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.47
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide?

The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide (CID 20975233) is N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide.

What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide?

The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide is CCc1cnc(NC(=O)CN2CC3CC(C2)c2cccc(=O)n2C3)s1.

What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide?

The InChIKey is CHYQGJMCBHMDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-2-14-7-19-18(25-14)20-16(23)11-21-8-12-6-13(10-21)15-4-3-5-17(24)22(15)9-12/h3-5,7,12-13H,2,6,8-11H2,1H3,(H,19,20,23).

What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide?

N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethyl-1,3-thiazol-2-yl)-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)acetamide is sourced from PubChem (CID 20975233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).