2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C17H23N4O2S+ — CID 7293715

About 2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7293715) has the molecular formula C17H23N4O2S+ and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 7293715
• Molecular Formula: C17H23N4O2S+
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.15
• IUPAC Name: 2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: CCc1nc2sc([C@H](c3ccco3)[NH+]3CCC[C@H](C)C3)c(O)n2n1
• InChI: InChI=1S/C17H22N4O2S/c1-3-13-18-17-21(19-13)16(22)15(24-17)14(12-7-5-9-23-12)20-8-4-6-11(2)10-20/h5,7,9,11,14,22H,3-4,6,8,10H2,1-2H3/p+1/t11-,14-/m0/s1
• InChIKey: AEORYQAXPUGBGE-FZMZJTMJSA-O
• XLogP: 2.06
• TPSA: 68.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7293715) is 2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

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

The canonical SMILES for 2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCc1nc2sc([C@H](c3ccco3)[NH+]3CCC[C@H](C)C3)c(O)n2n1.

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

The InChIKey is AEORYQAXPUGBGE-FZMZJTMJSA-O. The full InChI is InChI=1S/C17H22N4O2S/c1-3-13-18-17-21(19-13)16(22)15(24-17)14(12-7-5-9-23-12)20-8-4-6-11(2)10-20/h5,7,9,11,14,22H,3-4,6,8,10H2,1-2H3/p+1/t11-,14-/m0/s1.

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

2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 347.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7293715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).