N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine

C19H27N5S — CID 120845248

About N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine

N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine (PubChem CID 120845248) has the molecular formula C19H27N5S and a molecular weight of 357.53 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

• Compound Name: N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
• PubChem CID: 120845248
• Molecular Formula: C19H27N5S
• Molecular Weight: 357.53 g/mol
• Exact Mass: 357.20
• IUPAC Name: N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine
• SMILES: Cn1ccnc1CN(Cc1scnc1C1CC1)C1CC12CCNCC2
• InChI: InChI=1S/C19H27N5S/c1-23-9-8-21-17(23)12-24(16-10-19(16)4-6-20-7-5-19)11-15-18(14-2-3-14)22-13-25-15/h8-9,13-14,16,20H,2-7,10-12H2,1H3
• InChIKey: SEAIGIKSKLDXDL-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 45.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.53
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine (CID 120845248) is N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine.

What is the SMILES notation for N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The canonical SMILES for N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine is Cn1ccnc1CN(Cc1scnc1C1CC1)C1CC12CCNCC2.

What is the InChIKey of N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

The InChIKey is SEAIGIKSKLDXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5S/c1-23-9-8-21-17(23)12-24(16-10-19(16)4-6-20-7-5-19)11-15-18(14-2-3-14)22-13-25-15/h8-9,13-14,16,20H,2-7,10-12H2,1H3.

What are the key properties of N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine?

N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine has a molecular weight of 357.53 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-[(1-methylimidazol-2-yl)methyl]-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 120845248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).