N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

C17H26ClN5S — CID 154793432

About N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride

N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (PubChem CID 154793432) has the molecular formula C17H26ClN5S and a molecular weight of 367.95 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

Molecular Properties

• Compound Name: N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
• PubChem CID: 154793432
• Molecular Formula: C17H26ClN5S
• Molecular Weight: 367.95 g/mol
• Exact Mass: 367.16
• IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride
• SMILES: Cc1csc(CN(Cc2nccn2C)C2CC23CCNCC3)n1.Cl
• InChI: InChI=1S/C17H25N5S.ClH/c1-13-12-23-16(20-13)11-22(10-15-19-7-8-21(15)2)14-9-17(14)3-5-18-6-4-17;/h7-8,12,14,18H,3-6,9-11H2,1-2H3;1H
• InChIKey: AASBZAKLNOANTC-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.95
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride (CID 154793432) is N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride.

What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is Cc1csc(CN(Cc2nccn2C)C2CC23CCNCC3)n1.Cl.

What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

The InChIKey is AASBZAKLNOANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S.ClH/c1-13-12-23-16(20-13)11-22(10-15-19-7-8-21(15)2)14-9-17(14)3-5-18-6-4-17;/h7-8,12,14,18H,3-6,9-11H2,1-2H3;1H.

What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride?

N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride has a molecular weight of 367.95 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-methylimidazol-2-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine;hydrochloride is sourced from PubChem (CID 154793432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).