2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

C20H21F3N4O2S — CID 155874190

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 155874190) has the molecular formula C20H21F3N4O2S and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 155874190
• Molecular Formula: C20H21F3N4O2S
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.13
• IUPAC Name: 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: Cc1nc(CN2CC3(CCN(C(=O)c4ccnc(C(F)(F)F)c4)CC3)CC2=O)cs1
• InChI: InChI=1S/C20H21F3N4O2S/c1-13-25-15(11-30-13)10-27-12-19(9-17(27)28)3-6-26(7-4-19)18(29)14-2-5-24-16(8-14)20(21,22)23/h2,5,8,11H,3-4,6-7,9-10,12H2,1H3
• InChIKey: ICNGISKKKNWYGL-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 66.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (CID 155874190) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1nc(CN2CC3(CCN(C(=O)c4ccnc(C(F)(F)F)c4)CC3)CC2=O)cs1.

What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is ICNGISKKKNWYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2S/c1-13-25-15(11-30-13)10-27-12-19(9-17(27)28)3-6-26(7-4-19)18(29)14-2-5-24-16(8-14)20(21,22)23/h2,5,8,11H,3-4,6-7,9-10,12H2,1H3.

What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 438.48 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-[2-(trifluoromethyl)pyridine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 155874190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).