2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

C26H30N10O2S2 — CID 129136029

About 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide

2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (PubChem CID 129136029) has the molecular formula C26H30N10O2S2 and a molecular weight of 578.73 g/mol. Its IUPAC name is 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• PubChem CID: 129136029
• Molecular Formula: C26H30N10O2S2
• Molecular Weight: 578.73 g/mol
• Exact Mass: 578.20
• IUPAC Name: 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
• SMILES: CNc1nc(CC(=O)Nc2ccc([C@H]3CCC[C@H](c4ccc(NC(=O)Cc5csc(NC)n5)nn4)C3)nn2)cs1
• InChI: InChI=1S/C26H30N10O2S2/c1-27-25-29-17(13-39-25)11-23(37)31-21-8-6-19(33-35-21)15-4-3-5-16(10-15)20-7-9-22(36-34-20)32-24(38)12-18-14-40-26(28-2)30-18/h6-9,13-16H,3-5,10-12H2,1-2H3,(H,27,29)(H,28,30)(H,31,35,37)(H,32,36,38)/t15-,16-/m0/s1
• InChIKey: OZHJCBDPPQHXTC-HOTGVXAUSA-N
• XLogP: 4.07
• TPSA: 159.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.73
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The IUPAC name of 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide (CID 129136029) is 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide.

What is the SMILES notation for 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The canonical SMILES for 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is CNc1nc(CC(=O)Nc2ccc([C@H]3CCC[C@H](c4ccc(NC(=O)Cc5csc(NC)n5)nn4)C3)nn2)cs1.

What is the InChIKey of 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

The InChIKey is OZHJCBDPPQHXTC-HOTGVXAUSA-N. The full InChI is InChI=1S/C26H30N10O2S2/c1-27-25-29-17(13-39-25)11-23(37)31-21-8-6-19(33-35-21)15-4-3-5-16(10-15)20-7-9-22(36-34-20)32-24(38)12-18-14-40-26(28-2)30-18/h6-9,13-16H,3-5,10-12H2,1-2H3,(H,27,29)(H,28,30)(H,31,35,37)(H,32,36,38)/t15-,16-/m0/s1.

What are the key properties of 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide?

2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide has a molecular weight of 578.73 g/mol, XLogP of 4.07, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(methylamino)-1,3-thiazol-4-yl]-N-[6-[(1S,3S)-3-[6-[[2-[2-(methylamino)-1,3-thiazol-4-yl]acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 129136029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).