3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride

C15H27Cl2N3OS — CID 120503625

About 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride

3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride (PubChem CID 120503625) has the molecular formula C15H27Cl2N3OS and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
• PubChem CID: 120503625
• Molecular Formula: C15H27Cl2N3OS
• Molecular Weight: 368.37 g/mol
• Exact Mass: 367.13
• IUPAC Name: 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
• SMILES: CCc1csc(C2CCCN(C(=O)C(C)C(C)N)C2)n1.Cl.Cl
• InChI: InChI=1S/C15H25N3OS.2ClH/c1-4-13-9-20-14(17-13)12-6-5-7-18(8-12)15(19)10(2)11(3)16;;/h9-12H,4-8,16H2,1-3H3;2*1H
• InChIKey: USUUDJBYMVMIGK-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 59.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.37
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride?

The IUPAC name of 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride (CID 120503625) is 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride.

What is the SMILES notation for 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride?

The canonical SMILES for 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride is CCc1csc(C2CCCN(C(=O)C(C)C(C)N)C2)n1.Cl.Cl.

What is the InChIKey of 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride?

The InChIKey is USUUDJBYMVMIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS.2ClH/c1-4-13-9-20-14(17-13)12-6-5-7-18(8-12)15(19)10(2)11(3)16;;/h9-12H,4-8,16H2,1-3H3;2*1H.

What are the key properties of 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride?

3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride has a molecular weight of 368.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride is sourced from PubChem (CID 120503625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).