2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C19H24N6OS — CID 97275438

About 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 97275438) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 97275438
• Molecular Formula: C19H24N6OS
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.17
• IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• SMILES: Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1
• InChI: InChI=1S/C19H24N6OS/c1-14-8-15(2)25(22-14)11-18(26)23-6-3-4-16(9-23)19-20-5-7-24(19)10-17-12-27-13-21-17/h5,7-8,12-13,16H,3-4,6,9-11H2,1-2H3/t16-/m1/s1
• InChIKey: MRNKIAFYGQFMAJ-MRXNPFEDSA-N
• XLogP: 2.61
• TPSA: 68.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 97275438) is 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1.

What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is MRNKIAFYGQFMAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-14-8-15(2)25(22-14)11-18(26)23-6-3-4-16(9-23)19-20-5-7-24(19)10-17-12-27-13-21-17/h5,7-8,12-13,16H,3-4,6,9-11H2,1-2H3/t16-/m1/s1.

What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 384.51 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97275438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).