N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine

C22H29N5S — CID 120845310

About N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine

N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine (PubChem CID 120845310) has the molecular formula C22H29N5S and a molecular weight of 395.58 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

• Compound Name: N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine
• PubChem CID: 120845310
• Molecular Formula: C22H29N5S
• Molecular Weight: 395.58 g/mol
• Exact Mass: 395.21
• IUPAC Name: N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine
• SMILES: CCn1ccnc1CN(Cc1ccc2nc(C)sc2c1)C1CC12CCNCC2
• InChI: InChI=1S/C22H29N5S/c1-3-26-11-10-24-21(26)15-27(20-13-22(20)6-8-23-9-7-22)14-17-4-5-18-19(12-17)28-16(2)25-18/h4-5,10-12,20,23H,3,6-9,13-15H2,1-2H3
• InChIKey: FIQWDZAMPZWLFZ-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.58
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine (CID 120845310) is N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine.

What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine is CCn1ccnc1CN(Cc1ccc2nc(C)sc2c1)C1CC12CCNCC2.

What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The InChIKey is FIQWDZAMPZWLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5S/c1-3-26-11-10-24-21(26)15-27(20-13-22(20)6-8-23-9-7-22)14-17-4-5-18-19(12-17)28-16(2)25-18/h4-5,10-12,20,23H,3,6-9,13-15H2,1-2H3.

What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine has a molecular weight of 395.58 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 120845310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).