(4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone

C21H25N5OS — CID 110268009

About (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110268009) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 110268009
• Molecular Formula: C21H25N5OS
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.18
• IUPAC Name: (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: Cc1ncsc1C(=O)N1CCCC(c2cccc(-n3ccnc3C(C)C)n2)C1
• InChI: InChI=1S/C21H25N5OS/c1-14(2)20-22-9-11-26(20)18-8-4-7-17(24-18)16-6-5-10-25(12-16)21(27)19-15(3)23-13-28-19/h4,7-9,11,13-14,16H,5-6,10,12H2,1-3H3
• InChIKey: SGVQTCGONCUHCW-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone (CID 110268009) is (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCCC(c2cccc(-n3ccnc3C(C)C)n2)C1.

What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is SGVQTCGONCUHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-14(2)20-22-9-11-26(20)18-8-4-7-17(24-18)16-6-5-10-25(12-16)21(27)19-15(3)23-13-28-19/h4,7-9,11,13-14,16H,5-6,10,12H2,1-3H3.

What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone?

(4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 395.53 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110268009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).