N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C17H16N4O2S — CID 122279942

About N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122279942) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• PubChem CID: 122279942
• Molecular Formula: C17H16N4O2S
• Molecular Weight: 340.41 g/mol
• Exact Mass: 340.10
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• SMILES: CC(C(=O)Nc1nc2ccccc2s1)n1nc2c(cc1=O)CCC2
• InChI: InChI=1S/C17H16N4O2S/c1-10(21-15(22)9-11-5-4-7-12(11)20-21)16(23)19-17-18-13-6-2-3-8-14(13)24-17/h2-3,6,8-10H,4-5,7H2,1H3,(H,18,19,23)
• InChIKey: PQSXNYDRKNGLKF-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.41
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122279942) is N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CC(C(=O)Nc1nc2ccccc2s1)n1nc2c(cc1=O)CCC2.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

The InChIKey is PQSXNYDRKNGLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10(21-15(22)9-11-5-4-7-12(11)20-21)16(23)19-17-18-13-6-2-3-8-14(13)24-17/h2-3,6,8-10H,4-5,7H2,1H3,(H,18,19,23).

What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 340.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122279942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).