[(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C21H22N6OS — CID 92567129

About [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 92567129) has the molecular formula C21H22N6OS and a molecular weight of 406.52 g/mol. Its IUPAC name is [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
• PubChem CID: 92567129
• Molecular Formula: C21H22N6OS
• Molecular Weight: 406.52 g/mol
• Exact Mass: 406.16
• IUPAC Name: [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
• SMILES: Cn1ccc(C(=O)N2CCC[C@H](c3nc(Nc4ccccc4)n4ccsc34)C2)n1
• InChI: InChI=1S/C21H22N6OS/c1-25-11-9-17(24-25)19(28)26-10-5-6-15(14-26)18-20-27(12-13-29-20)21(23-18)22-16-7-3-2-4-8-16/h2-4,7-9,11-13,15H,5-6,10,14H2,1H3,(H,22,23)/t15-/m0/s1
• InChIKey: GRVICDDKZQDJEW-HNNXBMFYSA-N
• XLogP: 3.89
• TPSA: 67.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.52
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?

The IUPAC name of [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 92567129) is [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

What is the SMILES notation for [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?

The canonical SMILES for [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCC[C@H](c3nc(Nc4ccccc4)n4ccsc34)C2)n1.

What is the InChIKey of [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?

The InChIKey is GRVICDDKZQDJEW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N6OS/c1-25-11-9-17(24-25)19(28)26-10-5-6-15(14-26)18-20-27(12-13-29-20)21(23-18)22-16-7-3-2-4-8-16/h2-4,7-9,11-13,15H,5-6,10,14H2,1H3,(H,22,23)/t15-/m0/s1.

What are the key properties of [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?

[(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 406.52 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-(5-anilinoimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 92567129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).