5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C24H25F2N5OS — CID 18576261

About 5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 18576261) has the molecular formula C24H25F2N5OS and a molecular weight of 469.56 g/mol. Its IUPAC name is 5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 18576261
• Molecular Formula: C24H25F2N5OS
• Molecular Weight: 469.56 g/mol
• Exact Mass: 469.17
• IUPAC Name: 5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: CCc1nc2sc(C(c3ccc(F)c(F)c3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1
• InChI: InChI=1S/C24H25F2N5OS/c1-2-20-27-24-31(28-20)23(32)22(33-24)21(17-8-9-18(25)19(26)14-17)30-12-10-29(11-13-30)15-16-6-4-3-5-7-16/h3-9,14,21,32H,2,10-13,15H2,1H3
• InChIKey: WTDOLCRDMQZGLW-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 56.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.56
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 18576261) is 5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

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

The canonical SMILES for 5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCc1nc2sc(C(c3ccc(F)c(F)c3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1.

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

The InChIKey is WTDOLCRDMQZGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5OS/c1-2-20-27-24-31(28-20)23(32)22(33-24)21(17-8-9-18(25)19(26)14-17)30-12-10-29(11-13-30)15-16-6-4-3-5-7-16/h3-9,14,21,32H,2,10-13,15H2,1H3.

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

5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 469.56 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-benzylpiperazin-1-yl)-(3,4-difluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 18576261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).