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

C16H21N5O2S — CID 122280132

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122280132) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

• Compound Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• PubChem CID: 122280132
• Molecular Formula: C16H21N5O2S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.14
• IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
• SMILES: CCCCc1nnc(NC(=O)C(C)n2nc3c(cc2=O)CCC3)s1
• InChI: InChI=1S/C16H21N5O2S/c1-3-4-8-13-18-19-16(24-13)17-15(23)10(2)21-14(22)9-11-6-5-7-12(11)20-21/h9-10H,3-8H2,1-2H3,(H,17,19,23)
• InChIKey: NLNUVZBUQDFBNK-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122280132) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

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

The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CCCCc1nnc(NC(=O)C(C)n2nc3c(cc2=O)CCC3)s1.

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

The InChIKey is NLNUVZBUQDFBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-3-4-8-13-18-19-16(24-13)17-15(23)10(2)21-14(22)9-11-6-5-7-12(11)20-21/h9-10H,3-8H2,1-2H3,(H,17,19,23).

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 347.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122280132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).