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

C14H24N4OS — CID 79805846

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

2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one (PubChem CID 79805846) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
• PubChem CID: 79805846
• Molecular Formula: C14H24N4OS
• Molecular Weight: 296.44 g/mol
• Exact Mass: 296.17
• IUPAC Name: 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
• SMILES: CCC(C)(N)C(=O)N1CCN(Cc2csc(C)n2)CC1
• InChI: InChI=1S/C14H24N4OS/c1-4-14(3,15)13(19)18-7-5-17(6-8-18)9-12-10-20-11(2)16-12/h10H,4-9,15H2,1-3H3
• InChIKey: FMPSNAXTNICIKU-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 62.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.44
LogP ≤ 5	1.22
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]butan-1-one?

The IUPAC name of 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one (CID 79805846) is 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-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]butan-1-one?

The canonical SMILES for 2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one is CCC(C)(N)C(=O)N1CCN(Cc2csc(C)n2)CC1.

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

The InChIKey is FMPSNAXTNICIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-14(3,15)13(19)18-7-5-17(6-8-18)9-12-10-20-11(2)16-12/h10H,4-9,15H2,1-3H3.

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

2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one has a molecular weight of 296.44 g/mol, XLogP of 1.22, 4 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]butan-1-one is sourced from PubChem (CID 79805846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).