[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

C17H21N7OS — CID 120878156

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 120878156) has the molecular formula C17H21N7OS and a molecular weight of 371.47 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

• Compound Name: [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
• PubChem CID: 120878156
• Molecular Formula: C17H21N7OS
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.15
• IUPAC Name: [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
• SMILES: Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCNCC1c1nccn1C
• InChI: InChI=1S/C17H21N7OS/c1-11-14(26-16(21-11)12-8-20-23(3)10-12)17(25)24-7-4-18-9-13(24)15-19-5-6-22(15)2/h5-6,8,10,13,18H,4,7,9H2,1-3H3
• InChIKey: QXOUGJNETPPLIA-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.47
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?

The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (CID 120878156) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.

What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?

The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is Cc1nc(-c2cnn(C)c2)sc1C(=O)N1CCNCC1c1nccn1C.

What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?

The InChIKey is QXOUGJNETPPLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7OS/c1-11-14(26-16(21-11)12-8-20-23(3)10-12)17(25)24-7-4-18-9-13(24)15-19-5-6-22(15)2/h5-6,8,10,13,18H,4,7,9H2,1-3H3.

What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 371.47 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 120878156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).