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

C22H24N4O2S — CID 7286644

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

2-(furan-2-yl)-5-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7286644) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-5-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 7286644
• Molecular Formula: C22H24N4O2S
• Molecular Weight: 408.53 g/mol
• Exact Mass: 408.16
• IUPAC Name: 2-(furan-2-yl)-5-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCC[C@H](C)C2)cc1
• InChI: InChI=1S/C22H24N4O2S/c1-14-7-9-16(10-8-14)18(25-11-3-5-15(2)13-25)19-21(27)26-22(29-19)23-20(24-26)17-6-4-12-28-17/h4,6-10,12,15,18,27H,3,5,11,13H2,1-2H3/t15-,18+/m0/s1
• InChIKey: YVOANIYRTYKMGW-MAUKXSAKSA-N
• XLogP: 4.89
• TPSA: 66.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.53
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(furan-2-yl)-5-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7286644) is 2-(furan-2-yl)-5-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-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-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The canonical SMILES for 2-(furan-2-yl)-5-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCC[C@H](C)C2)cc1.

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

The InChIKey is YVOANIYRTYKMGW-MAUKXSAKSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-14-7-9-16(10-8-14)18(25-11-3-5-15(2)13-25)19-21(27)26-22(29-19)23-20(24-26)17-6-4-12-28-17/h4,6-10,12,15,18,27H,3,5,11,13H2,1-2H3/t15-,18+/m0/s1.

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

2-(furan-2-yl)-5-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 408.53 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-5-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7286644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).