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

C17H20N4O2S — CID 3239506

IUPAC5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccccc3)N3CCC(O)CC3)c(O)n2n1
InChIInChI=1S/C17H20N4O2S/c1-11-18-17-21(19-11)16(23)15(24-17)14(12-5-3-2-4-6-12)20-9-7-13(22)8-10-20/h2-6,13-14,22-23H,7-10H2,1H3
InChIKeyBOIVBEJYMGYDQS-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.35
Rot. Bonds3

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

5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3239506) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID3239506
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccccc3)N3CCC(O)CC3)c(O)n2n1
InChIInChI=1S/C17H20N4O2S/c1-11-18-17-21(19-11)16(23)15(24-17)14(12-5-3-2-4-6-12)20-9-7-13(22)8-10-20/h2-6,13-14,22-23H,7-10H2,1H3
InChIKeyBOIVBEJYMGYDQS-UHFFFAOYSA-N
XLogP2.35
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-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-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3239506) is 5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccccc3)N3CCC(O)CC3)c(O)n2n1.
What is the InChIKey of 5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is BOIVBEJYMGYDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-18-17-21(19-11)16(23)15(24-17)14(12-5-3-2-4-6-12)20-9-7-13(22)8-10-20/h2-6,13-14,22-23H,7-10H2,1H3.
What are the key properties of 5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 344.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxypiperidin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3239506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).