3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride

C20H30Cl2N4OS — CID 119831165

About 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride

3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119831165) has the molecular formula C20H30Cl2N4OS and a molecular weight of 445.46 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride
• PubChem CID: 119831165
• Molecular Formula: C20H30Cl2N4OS
• Molecular Weight: 445.46 g/mol
• Exact Mass: 444.15
• IUPAC Name: 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride
• SMILES: CC1CCCN(Cc2csc(NC(=O)C(C)C(N)c3ccccc3)n2)C1.Cl.Cl
• InChI: InChI=1S/C20H28N4OS.2ClH/c1-14-7-6-10-24(11-14)12-17-13-26-20(22-17)23-19(25)15(2)18(21)16-8-4-3-5-9-16;;/h3-5,8-9,13-15,18H,6-7,10-12,21H2,1-2H3,(H,22,23,25);2*1H
• InChIKey: UKTVCGQXZAONSS-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 71.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.46
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride?

The IUPAC name of 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride (CID 119831165) is 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride.

What is the SMILES notation for 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride?

The canonical SMILES for 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride is CC1CCCN(Cc2csc(NC(=O)C(C)C(N)c3ccccc3)n2)C1.Cl.Cl.

What is the InChIKey of 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride?

The InChIKey is UKTVCGQXZAONSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS.2ClH/c1-14-7-6-10-24(11-14)12-17-13-26-20(22-17)23-19(25)15(2)18(21)16-8-4-3-5-9-16;;/h3-5,8-9,13-15,18H,6-7,10-12,21H2,1-2H3,(H,22,23,25);2*1H.

What are the key properties of 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride?

3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 445.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119831165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).