3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

C19H21N5O3S — CID 172669375

About 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 172669375) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
• PubChem CID: 172669375
• Molecular Formula: C19H21N5O3S
• Molecular Weight: 399.48 g/mol
• Exact Mass: 399.14
• IUPAC Name: 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
• SMILES: Cc1nc2sccn2c1C(=O)N1CCC2(CC1)CC(Cn1ccnc1)OC2=O
• InChI: InChI=1S/C19H21N5O3S/c1-13-15(24-8-9-28-18(24)21-13)16(25)23-5-2-19(3-6-23)10-14(27-17(19)26)11-22-7-4-20-12-22/h4,7-9,12,14H,2-3,5-6,10-11H2,1H3
• InChIKey: NEYDIXRVGVFDBZ-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 81.73 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.48
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The IUPAC name of 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 172669375) is 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

What is the SMILES notation for 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The canonical SMILES for 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is Cc1nc2sccn2c1C(=O)N1CCC2(CC1)CC(Cn1ccnc1)OC2=O.

What is the InChIKey of 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

The InChIKey is NEYDIXRVGVFDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-13-15(24-8-9-28-18(24)21-13)16(25)23-5-2-19(3-6-23)10-14(27-17(19)26)11-22-7-4-20-12-22/h4,7-9,12,14H,2-3,5-6,10-11H2,1H3.

What are the key properties of 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?

3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 399.48 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(imidazol-1-ylmethyl)-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 172669375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).