2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C16H22N6OS — CID 56815269

About 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 56815269) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
• PubChem CID: 56815269
• Molecular Formula: C16H22N6OS
• Molecular Weight: 346.46 g/mol
• Exact Mass: 346.16
• IUPAC Name: 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
• SMILES: Cc1ncc(CN(C)CC(=O)N2CCN(c3ncccn3)CC2)s1
• InChI: InChI=1S/C16H22N6OS/c1-13-19-10-14(24-13)11-20(2)12-15(23)21-6-8-22(9-7-21)16-17-4-3-5-18-16/h3-5,10H,6-9,11-12H2,1-2H3
• InChIKey: SZNWMAZHJZFDMQ-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 65.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.46
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 56815269) is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1ncc(CN(C)CC(=O)N2CCN(c3ncccn3)CC2)s1.

What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

The InChIKey is SZNWMAZHJZFDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-13-19-10-14(24-13)11-20(2)12-15(23)21-6-8-22(9-7-21)16-17-4-3-5-18-16/h3-5,10H,6-9,11-12H2,1-2H3.

What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?

2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 346.46 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56815269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).