furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone

C25H23N5O5S — CID 30675153

About furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 30675153) has the molecular formula C25H23N5O5S and a molecular weight of 505.56 g/mol. Its IUPAC name is furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
• PubChem CID: 30675153
• Molecular Formula: C25H23N5O5S
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.14
• IUPAC Name: furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
• SMILES: COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1
• InChI: InChI=1S/C25H23N5O5S/c1-33-17-6-2-5-16(15-17)20(28-9-11-29(12-10-28)23(31)19-8-4-14-35-19)21-24(32)30-25(36-21)26-22(27-30)18-7-3-13-34-18/h2-8,13-15,20,32H,9-12H2,1H3/t20-/m1/s1
• InChIKey: LICORTDFCJXJQB-HXUWFJFHSA-N
• XLogP: 3.91
• TPSA: 109.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?

The IUPAC name of furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 30675153) is furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone.

What is the SMILES notation for furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?

The canonical SMILES for furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone is COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1.

What is the InChIKey of furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?

The InChIKey is LICORTDFCJXJQB-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H23N5O5S/c1-33-17-6-2-5-16(15-17)20(28-9-11-29(12-10-28)23(31)19-8-4-14-35-19)21-24(32)30-25(36-21)26-22(27-30)18-7-3-13-34-18/h2-8,13-15,20,32H,9-12H2,1H3/t20-/m1/s1.

What are the key properties of furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?

furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 505.56 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for furan-2-yl-[4-[(R)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(3-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30675153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).