2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

C24H24N8O2S2 — CID 129135917

About 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 129135917) has the molecular formula C24H24N8O2S2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• PubChem CID: 129135917
• Molecular Formula: C24H24N8O2S2
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.15
• IUPAC Name: 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• SMILES: O=C(Cc1nccs1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4nccs4)nn3)C2)nn1
• InChI: InChI=1S/C24H24N8O2S2/c33-21(13-23-25-8-10-35-23)27-19-6-4-17(29-31-19)15-2-1-3-16(12-15)18-5-7-20(32-30-18)28-22(34)14-24-26-9-11-36-24/h4-11,15-16H,1-3,12-14H2,(H,27,31,33)(H,28,32,34)/t15-,16-/m0/s1
• InChIKey: LNBRGIMFMCIBKF-HOTGVXAUSA-N
• XLogP: 3.98
• TPSA: 135.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The IUPAC name of 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 129135917) is 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

What is the SMILES notation for 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The canonical SMILES for 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is O=C(Cc1nccs1)Nc1ccc([C@H]2CCC[C@H](c3ccc(NC(=O)Cc4nccs4)nn3)C2)nn1.

What is the InChIKey of 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The InChIKey is LNBRGIMFMCIBKF-HOTGVXAUSA-N. The full InChI is InChI=1S/C24H24N8O2S2/c33-21(13-23-25-8-10-35-23)27-19-6-4-17(29-31-19)15-2-1-3-16(12-15)18-5-7-20(32-30-18)28-22(34)14-24-26-9-11-36-24/h4-11,15-16H,1-3,12-14H2,(H,27,31,33)(H,28,32,34)/t15-,16-/m0/s1.

What are the key properties of 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 520.64 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-thiazol-2-yl)-N-[6-[(1S,3S)-3-[6-[[2-(1,3-thiazol-2-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129135917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).