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

C26H25N5O2S — CID 4276367

IUPAC5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESOc1c(C(c2ccco2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12
InChIInChI=1S/C26H25N5O2S/c32-25-24(34-26-27-18-28-31(25)26)23(21-12-7-17-33-21)30-15-13-29(14-16-30)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17-18,22-23,32H,13-16H2
InChIKeyPOXMPAGVAMHLHD-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.59
Rot. Bonds6

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

5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 4276367) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is 5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID4276367
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESOc1c(C(c2ccco2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12
InChIInChI=1S/C26H25N5O2S/c32-25-24(34-26-27-18-28-31(25)26)23(21-12-7-17-33-21)30-15-13-29(14-16-30)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17-18,22-23,32H,13-16H2
InChIKeyPOXMPAGVAMHLHD-UHFFFAOYSA-N
XLogP4.59
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)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-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 4276367) is 5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Oc1c(C(c2ccco2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12.
What is the InChIKey of 5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is POXMPAGVAMHLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c32-25-24(34-26-27-18-28-31(25)26)23(21-12-7-17-33-21)30-15-13-29(14-16-30)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17-18,22-23,32H,13-16H2.
What are the key properties of 5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 471.59 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzhydrylpiperazin-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 4276367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).