N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide

C21H23N7O2S — CID 118492664

About N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide

N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide (PubChem CID 118492664) has the molecular formula C21H23N7O2S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
• PubChem CID: 118492664
• Molecular Formula: C21H23N7O2S
• Molecular Weight: 437.53 g/mol
• Exact Mass: 437.16
• IUPAC Name: N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide
• SMILES: CC(=O)Nc1ccc(C[C@H]2CC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1
• InChI: InChI=1S/C21H23N7O2S/c1-13(29)23-18-8-7-17(25-26-18)11-14-5-6-15(10-14)20-27-28-21(31-20)24-19(30)12-16-4-2-3-9-22-16/h2-4,7-9,14-15H,5-6,10-12H2,1H3,(H,23,26,29)(H,24,28,30)/t14-,15+/m0/s1
• InChIKey: OHQYREUQMMJDJL-LSDHHAIUSA-N
• XLogP: 2.99
• TPSA: 122.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.53
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

The IUPAC name of N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide (CID 118492664) is N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

The canonical SMILES for N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide is CC(=O)Nc1ccc(C[C@H]2CC[C@@H](c3nnc(NC(=O)Cc4ccccn4)s3)C2)nn1.

What is the InChIKey of N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

The InChIKey is OHQYREUQMMJDJL-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H23N7O2S/c1-13(29)23-18-8-7-17(25-26-18)11-14-5-6-15(10-14)20-27-28-21(31-20)24-19(30)12-16-4-2-3-9-22-16/h2-4,7-9,14-15H,5-6,10-12H2,1H3,(H,23,26,29)(H,24,28,30)/t14-,15+/m0/s1.

What are the key properties of N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide?

N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide has a molecular weight of 437.53 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1R,3S)-3-[(6-acetamidopyridazin-3-yl)methyl]cyclopentyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 118492664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).