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

C19H19N4O2S+ — CID 7286495

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

2-(furan-2-yl)-5-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7286495) has the molecular formula C19H19N4O2S+ and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-5-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 7286495
• Molecular Formula: C19H19N4O2S+
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.12
• IUPAC Name: 2-(furan-2-yl)-5-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: Oc1c([C@H](c2ccccc2)[NH+]2CCCC2)sc2nc(-c3ccco3)nn12
• InChI: InChI=1S/C19H18N4O2S/c24-18-16(15(22-10-4-5-11-22)13-7-2-1-3-8-13)26-19-20-17(21-23(18)19)14-9-6-12-25-14/h1-3,6-9,12,15,24H,4-5,10-11H2/p+1/t15-/m0/s1
• InChIKey: OYGQMGFDJXZFHQ-HNNXBMFYSA-O
• XLogP: 2.52
• TPSA: 68.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(furan-2-yl)-5-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7286495) is 2-(furan-2-yl)-5-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

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

The canonical SMILES for 2-(furan-2-yl)-5-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Oc1c([C@H](c2ccccc2)[NH+]2CCCC2)sc2nc(-c3ccco3)nn12.

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

The InChIKey is OYGQMGFDJXZFHQ-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H18N4O2S/c24-18-16(15(22-10-4-5-11-22)13-7-2-1-3-8-13)26-19-20-17(21-23(18)19)14-9-6-12-25-14/h1-3,6-9,12,15,24H,4-5,10-11H2/p+1/t15-/m0/s1.

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

2-(furan-2-yl)-5-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 367.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-5-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7286495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).