4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole

C17H20N6S — CID 51104366

IUPAC4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESCn1nccc1C1CCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C17H20N6S/c1-22-15(3-8-20-22)13-4-9-23(10-5-13)11-14-12-24-17(21-14)16-18-6-2-7-19-16/h2-3,6-8,12-13H,4-5,9-11H2,1H3
InChIKeyHHJKDLKINBOVFP-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.71
Rot. Bonds4

About 4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole

4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 51104366) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID51104366
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESCn1nccc1C1CCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C17H20N6S/c1-22-15(3-8-20-22)13-4-9-23(10-5-13)11-14-12-24-17(21-14)16-18-6-2-7-19-16/h2-3,6-8,12-13H,4-5,9-11H2,1H3
InChIKeyHHJKDLKINBOVFP-UHFFFAOYSA-N
XLogP2.71
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (CID 51104366) is 4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is Cn1nccc1C1CCN(Cc2csc(-c3ncccn3)n2)CC1.
What is the InChIKey of 4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is HHJKDLKINBOVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-22-15(3-8-20-22)13-4-9-23(10-5-13)11-14-12-24-17(21-14)16-18-6-2-7-19-16/h2-3,6-8,12-13H,4-5,9-11H2,1H3.
What are the key properties of 4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 51104366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).