[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C19H22N6OS — CID 110110793

About [2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 110110793) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is [2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

• Compound Name: [2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
• PubChem CID: 110110793
• Molecular Formula: C19H22N6OS
• Molecular Weight: 382.49 g/mol
• Exact Mass: 382.16
• IUPAC Name: [2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
• SMILES: Cc1nc(-c2ncc(C)[nH]2)cc(C2CCCCN2C(=O)c2scnc2C)n1
• InChI: InChI=1S/C19H22N6OS/c1-11-9-20-18(22-11)15-8-14(23-13(3)24-15)16-6-4-5-7-25(16)19(26)17-12(2)21-10-27-17/h8-10,16H,4-7H2,1-3H3,(H,20,22)
• InChIKey: ZHRURIDUYNDOIW-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 87.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.49
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 110110793) is [2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

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

The canonical SMILES for [2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ncc(C)[nH]2)cc(C2CCCCN2C(=O)c2scnc2C)n1.

What is the InChIKey of [2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?

The InChIKey is ZHRURIDUYNDOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-11-9-20-18(22-11)15-8-14(23-13(3)24-15)16-6-4-5-7-25(16)19(26)17-12(2)21-10-27-17/h8-10,16H,4-7H2,1-3H3,(H,20,22).

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

[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 382.49 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110110793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).