5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole

C16H21N3O2S2 — CID 131653853

About 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole

5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole (PubChem CID 131653853) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole
• PubChem CID: 131653853
• Molecular Formula: C16H21N3O2S2
• Molecular Weight: 351.50 g/mol
• Exact Mass: 351.11
• IUPAC Name: 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole
• SMILES: Cc1cc(CN2CC3(CC(OCc4csc(C)n4)CS3)C2)no1
• InChI: InChI=1S/C16H21N3O2S2/c1-11-3-13(18-21-11)5-19-9-16(10-19)4-15(8-23-16)20-6-14-7-22-12(2)17-14/h3,7,15H,4-6,8-10H2,1-2H3
• InChIKey: XOJYYTGARLJBGP-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 51.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.50
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole?

The IUPAC name of 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole (CID 131653853) is 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole.

What is the SMILES notation for 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole?

The canonical SMILES for 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole is Cc1cc(CN2CC3(CC(OCc4csc(C)n4)CS3)C2)no1.

What is the InChIKey of 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole?

The InChIKey is XOJYYTGARLJBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-11-3-13(18-21-11)5-19-9-16(10-19)4-15(8-23-16)20-6-14-7-22-12(2)17-14/h3,7,15H,4-6,8-10H2,1-2H3.

What are the key properties of 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole?

5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole has a molecular weight of 351.50 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 131653853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).