1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide

C18H24N4O2S — CID 131641511

About 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide

1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide (PubChem CID 131641511) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide
• PubChem CID: 131641511
• Molecular Formula: C18H24N4O2S
• Molecular Weight: 360.48 g/mol
• Exact Mass: 360.16
• IUPAC Name: 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide
• SMILES: Cn1ccnc1C(=O)NCCC1CCOC12CN(Cc1ccsc1)C2
• InChI: InChI=1S/C18H24N4O2S/c1-21-7-6-19-16(21)17(23)20-5-2-15-3-8-24-18(15)12-22(13-18)10-14-4-9-25-11-14/h4,6-7,9,11,15H,2-3,5,8,10,12-13H2,1H3,(H,20,23)
• InChIKey: ZZFAINILPMXYCX-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 59.39 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	360.48
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide?

The IUPAC name of 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide (CID 131641511) is 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide.

What is the SMILES notation for 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide?

The canonical SMILES for 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide is Cn1ccnc1C(=O)NCCC1CCOC12CN(Cc1ccsc1)C2.

What is the InChIKey of 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide?

The InChIKey is ZZFAINILPMXYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-21-7-6-19-16(21)17(23)20-5-2-15-3-8-24-18(15)12-22(13-18)10-14-4-9-25-11-14/h4,6-7,9,11,15H,2-3,5,8,10,12-13H2,1H3,(H,20,23).

What are the key properties of 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide?

1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[2-[2-(thiophen-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]imidazole-2-carboxamide is sourced from PubChem (CID 131641511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).