4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole

C13H18N4S — CID 73439880

IUPAC4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cn[nH]c1C1CCCCN1Cc1cscn1
InChIInChI=1S/C13H18N4S/c1-10-6-15-16-13(10)12-4-2-3-5-17(12)7-11-8-18-9-14-11/h6,8-9,12H,2-5,7H2,1H3,(H,15,16)
InChIKeyVXQXZBQIDMEJGR-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.90
Rot. Bonds3

About 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole

4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 73439880) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID73439880
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cn[nH]c1C1CCCCN1Cc1cscn1
InChIInChI=1S/C13H18N4S/c1-10-6-15-16-13(10)12-4-2-3-5-17(12)7-11-8-18-9-14-11/h6,8-9,12H,2-5,7H2,1H3,(H,15,16)
InChIKeyVXQXZBQIDMEJGR-UHFFFAOYSA-N
XLogP2.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole 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 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 73439880) is 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1cn[nH]c1C1CCCCN1Cc1cscn1.
What is the InChIKey of 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is VXQXZBQIDMEJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-6-15-16-13(10)12-4-2-3-5-17(12)7-11-8-18-9-14-11/h6,8-9,12H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 262.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 73439880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).