2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol

C19H22N4OS — CID 133372022

IUPAC2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H22N4OS/c24-13-12-23-18(6-9-20-23)16-7-10-22(11-8-16)19-21-17(14-25-19)15-4-2-1-3-5-15/h1-6,9,14,16,24H,7-8,10-13H2
InChIKeyHGLHCUIPKAULGE-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.38
Rot. Bonds5

About 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol

2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol (PubChem CID 133372022) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
PubChem CID133372022
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
SMILESOCCn1nccc1C1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H22N4OS/c24-13-12-23-18(6-9-20-23)16-7-10-22(11-8-16)19-21-17(14-25-19)15-4-2-1-3-5-15/h1-6,9,14,16,24H,7-8,10-13H2
InChIKeyHGLHCUIPKAULGE-UHFFFAOYSA-N
XLogP3.38
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol 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 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol (CID 133372022) is 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol is OCCn1nccc1C1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
The InChIKey is HGLHCUIPKAULGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c24-13-12-23-18(6-9-20-23)16-7-10-22(11-8-16)19-21-17(14-25-19)15-4-2-1-3-5-15/h1-6,9,14,16,24H,7-8,10-13H2.
What are the key properties of 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol?
2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol has a molecular weight of 354.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 133372022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).