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

C18H20N4S — CID 21354763

IUPAC5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole
SMILESCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1
InChIInChI=1S/C18H20N4S/c1-13-12-15(21-20-13)16-17(22-10-6-3-7-11-22)19-18(23-16)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,20,21)
InChIKeyXWJRTNOHWFUQQT-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.50
Rot. Bonds3

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

5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole (PubChem CID 21354763) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole
PubChem CID21354763
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole
SMILESCc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1
InChIInChI=1S/C18H20N4S/c1-13-12-15(21-20-13)16-17(22-10-6-3-7-11-22)19-18(23-16)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,20,21)
InChIKeyXWJRTNOHWFUQQT-UHFFFAOYSA-N
XLogP4.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole?
The IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole (CID 21354763) is 5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole is Cc1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1.
What is the InChIKey of 5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole?
The InChIKey is XWJRTNOHWFUQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-13-12-15(21-20-13)16-17(22-10-6-3-7-11-22)19-18(23-16)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,20,21).
What are the key properties of 5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole?
5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole has a molecular weight of 324.45 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-4-piperidin-1-yl-1,3-thiazole is sourced from PubChem (CID 21354763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).