2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one

C13H22N4OS — CID 61265442

About 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one

2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 61265442) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
• PubChem CID: 61265442
• Molecular Formula: C13H22N4OS
• Molecular Weight: 282.41 g/mol
• Exact Mass: 282.15
• IUPAC Name: 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
• SMILES: Cc1nc(CN2CCN(C(=O)C(C)(C)N)CC2)cs1
• InChI: InChI=1S/C13H22N4OS/c1-10-15-11(9-19-10)8-16-4-6-17(7-5-16)12(18)13(2,3)14/h9H,4-8,14H2,1-3H3
• InChIKey: IFHHZWQKYYKGCK-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 62.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.41
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?

The IUPAC name of 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one (CID 61265442) is 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one is Cc1nc(CN2CCN(C(=O)C(C)(C)N)CC2)cs1.

What is the InChIKey of 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?

The InChIKey is IFHHZWQKYYKGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10-15-11(9-19-10)8-16-4-6-17(7-5-16)12(18)13(2,3)14/h9H,4-8,14H2,1-3H3.

What are the key properties of 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?

2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 282.41 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 61265442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).