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

C19H23Cl2N5OS — CID 120880763

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

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride (PubChem CID 120880763) has the molecular formula C19H23Cl2N5OS and a molecular weight of 440.40 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride.

Molecular Properties

• Compound Name: [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
• PubChem CID: 120880763
• Molecular Formula: C19H23Cl2N5OS
• Molecular Weight: 440.40 g/mol
• Exact Mass: 439.10
• IUPAC Name: [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
• SMILES: Cc1nc(-c2ccccc2)sc1C(=O)N1CCNCC1c1nccn1C.Cl.Cl
• InChI: InChI=1S/C19H21N5OS.2ClH/c1-13-16(26-18(22-13)14-6-4-3-5-7-14)19(25)24-11-8-20-12-15(24)17-21-9-10-23(17)2;;/h3-7,9-10,15,20H,8,11-12H2,1-2H3;2*1H
• InChIKey: RHUGESSYUPEHOS-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.40
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride (CID 120880763) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride.

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

The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride is Cc1nc(-c2ccccc2)sc1C(=O)N1CCNCC1c1nccn1C.Cl.Cl.

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

The InChIKey is RHUGESSYUPEHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS.2ClH/c1-13-16(26-18(22-13)14-6-4-3-5-7-14)19(25)24-11-8-20-12-15(24)17-21-9-10-23(17)2;;/h3-7,9-10,15,20H,8,11-12H2,1-2H3;2*1H.

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

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride has a molecular weight of 440.40 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 120880763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).