methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one

C51H54N10O4S2 — CID 159695593

About methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one

methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one (PubChem CID 159695593) has the molecular formula C51H54N10O4S2 and a molecular weight of 935.19 g/mol. Its IUPAC name is methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one.

Molecular Properties

• Compound Name: methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one
• PubChem CID: 159695593
• Molecular Formula: C51H54N10O4S2
• Molecular Weight: 935.19 g/mol
• Exact Mass: 934.38
• IUPAC Name: methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one
• SMILES: C.CC(=O)Nc1ncc(C2CC(Cc3ccc(CC(=O)Cc4ccccc4)nn3)C2)s1.O=C(Cc1ccccn1)Cc1ccc(C2CC(Cc3nnc(CC(=O)Cc4ccccn4)s3)C2)nn1
• InChI: InChI=1S/C27H26N6O2S.C23H24N4O2S.CH4/c34-23(14-20-5-1-3-9-28-20)16-22-7-8-25(31-30-22)19-11-18(12-19)13-26-32-33-27(36-26)17-24(35)15-21-6-2-4-10-29-21;1-15(28)25-23-24-14-22(30-23)18-9-17(10-18)11-19-7-8-20(27-26-19)13-21(29)12-16-5-3-2-4-6-16;/h1-10,18-19H,11-17H2;2-8,14,17-18H,9-13H2,1H3,(H,24,25,28);1H4
• InChIKey: MWYQPAYTUJBHCR-UHFFFAOYSA-N
• XLogP: 8.18
• TPSA: 196.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.19
LogP ≤ 5	8.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?

The IUPAC name of methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one (CID 159695593) is methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one.

What is the SMILES notation for methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?

The canonical SMILES for methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one is C.CC(=O)Nc1ncc(C2CC(Cc3ccc(CC(=O)Cc4ccccc4)nn3)C2)s1.O=C(Cc1ccccn1)Cc1ccc(C2CC(Cc3nnc(CC(=O)Cc4ccccn4)s3)C2)nn1.

What is the InChIKey of methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?

The InChIKey is MWYQPAYTUJBHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2S.C23H24N4O2S.CH4/c34-23(14-20-5-1-3-9-28-20)16-22-7-8-25(31-30-22)19-11-18(12-19)13-26-32-33-27(36-26)17-24(35)15-21-6-2-4-10-29-21;1-15(28)25-23-24-14-22(30-23)18-9-17(10-18)11-19-7-8-20(27-26-19)13-21(29)12-16-5-3-2-4-6-16;/h1-10,18-19H,11-17H2;2-8,14,17-18H,9-13H2,1H3,(H,24,25,28);1H4.

What are the key properties of methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?

methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one has a molecular weight of 935.19 g/mol, XLogP of 8.18, 19 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for methane;N-[5-[3-[[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]acetamide;1-[6-[3-[[5-(2-oxo-3-pyridin-2-ylpropyl)-1,3,4-thiadiazol-2-yl]methyl]cyclobutyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 159695593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).