2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C20H26N4O2S — CID 7294090

About 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7294090) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 7294090
• Molecular Formula: C20H26N4O2S
• Molecular Weight: 386.52 g/mol
• Exact Mass: 386.18
• IUPAC Name: 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCOCC3)c(O)n2n1
• InChI: InChI=1S/C20H26N4O2S/c1-4-16-21-20-24(22-16)19(25)18(27-20)17(23-9-11-26-12-10-23)15-7-5-14(6-8-15)13(2)3/h5-8,13,17,25H,4,9-12H2,1-3H3/t17-/m0/s1
• InChIKey: NDAVJAXZKICCFU-KRWDZBQOSA-N
• XLogP: 3.60
• TPSA: 62.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.52
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The IUPAC name of 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7294090) is 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

What is the SMILES notation for 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The canonical SMILES for 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCOCC3)c(O)n2n1.

What is the InChIKey of 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The InChIKey is NDAVJAXZKICCFU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-4-16-21-20-24(22-16)19(25)18(27-20)17(23-9-11-26-12-10-23)15-7-5-14(6-8-15)13(2)3/h5-8,13,17,25H,4,9-12H2,1-3H3/t17-/m0/s1.

What are the key properties of 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 386.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7294090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).