5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C19H22N4O4S — CID 2149298

About 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 2149298) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 2149298
• Molecular Formula: C19H22N4O4S
• Molecular Weight: 402.48 g/mol
• Exact Mass: 402.14
• IUPAC Name: 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: COc1cccc([C@H](c2sc3ncnn3c2O)N2CCC3(CC2)OCCO3)c1
• InChI: InChI=1S/C19H22N4O4S/c1-25-14-4-2-3-13(11-14)15(16-17(24)23-18(28-16)20-12-21-23)22-7-5-19(6-8-22)26-9-10-27-19/h2-4,11-12,15,24H,5-10H2,1H3/t15-/m1/s1
• InChIKey: KYDIKEKJHNVPGP-OAHLLOKOSA-N
• XLogP: 2.43
• TPSA: 81.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.48
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The IUPAC name of 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 2149298) is 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

What is the SMILES notation for 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The canonical SMILES for 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is COc1cccc([C@H](c2sc3ncnn3c2O)N2CCC3(CC2)OCCO3)c1.

What is the InChIKey of 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The InChIKey is KYDIKEKJHNVPGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-25-14-4-2-3-13(11-14)15(16-17(24)23-18(28-16)20-12-21-23)22-7-5-19(6-8-22)26-9-10-27-19/h2-4,11-12,15,24H,5-10H2,1H3/t15-/m1/s1.

What are the key properties of 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 402.48 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(R)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 2149298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).