5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C20H20FN5O2S — CID 4230296

IUPAC5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1
InChIInChI=1S/C20H20FN5O2S/c1-13-22-20-26(23-13)19(27)18(29-20)17(16-3-2-12-28-16)25-10-8-24(9-11-25)15-6-4-14(21)5-7-15/h2-7,12,17,27H,8-11H2,1H3
InChIKeyDFWFTQWBUBMXID-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.45
Rot. Bonds4

About 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 4230296) has the molecular formula C20H20FN5O2S and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID4230296
Molecular FormulaC20H20FN5O2S
Molecular Weight413.48 g/mol
Exact Mass413.13
IUPAC Name5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1
InChIInChI=1S/C20H20FN5O2S/c1-13-22-20-26(23-13)19(27)18(29-20)17(16-3-2-12-28-16)25-10-8-24(9-11-25)15-6-4-14(21)5-7-15/h2-7,12,17,27H,8-11H2,1H3
InChIKeyDFWFTQWBUBMXID-UHFFFAOYSA-N
XLogP3.45
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 4230296) is 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1.
What is the InChIKey of 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is DFWFTQWBUBMXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2S/c1-13-22-20-26(23-13)19(27)18(29-20)17(16-3-2-12-28-16)25-10-8-24(9-11-25)15-6-4-14(21)5-7-15/h2-7,12,17,27H,8-11H2,1H3.
What are the key properties of 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 413.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenyl)piperazin-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 4230296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).