N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C14H16N4O2S — CID 122279941

About N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122279941) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• PubChem CID: 122279941
• Molecular Formula: C14H16N4O2S
• Molecular Weight: 304.38 g/mol
• Exact Mass: 304.10
• IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• SMILES: Cc1csc(NC(=O)C(C)n2nc3c(cc2=O)CCC3)n1
• InChI: InChI=1S/C14H16N4O2S/c1-8-7-21-14(15-8)16-13(20)9(2)18-12(19)6-10-4-3-5-11(10)17-18/h6-7,9H,3-5H2,1-2H3,(H,15,16,20)
• InChIKey: WFBMDYHTJMHHOA-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.38
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122279941) is N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is Cc1csc(NC(=O)C(C)n2nc3c(cc2=O)CCC3)n1.

What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

The InChIKey is WFBMDYHTJMHHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-7-21-14(15-8)16-13(20)9(2)18-12(19)6-10-4-3-5-11(10)17-18/h6-7,9H,3-5H2,1-2H3,(H,15,16,20).

What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?

N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 304.38 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122279941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).