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

C16H18N6S — CID 51104521

IUPAC4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESc1cnc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)cs2)nc1
InChIInChI=1S/C16H18N6S/c1-5-17-15(18-6-1)16-20-13(11-23-16)10-22-8-3-12(4-9-22)14-2-7-19-21-14/h1-2,5-7,11-12H,3-4,8-10H2,(H,19,21)
InChIKeyYRGYASQJWFMYNB-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.70
Rot. Bonds4

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

4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 51104521) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID51104521
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
SMILESc1cnc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)cs2)nc1
InChIInChI=1S/C16H18N6S/c1-5-17-15(18-6-1)16-20-13(11-23-16)10-22-8-3-12(4-9-22)14-2-7-19-21-14/h1-2,5-7,11-12H,3-4,8-10H2,(H,19,21)
InChIKeyYRGYASQJWFMYNB-UHFFFAOYSA-N
XLogP2.70
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole (CID 51104521) is 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is c1cnc(-c2nc(CN3CCC(c4ccn[nH]4)CC3)cs2)nc1.
What is the InChIKey of 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is YRGYASQJWFMYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-5-17-15(18-6-1)16-20-13(11-23-16)10-22-8-3-12(4-9-22)14-2-7-19-21-14/h1-2,5-7,11-12H,3-4,8-10H2,(H,19,21).
What are the key properties of 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole?
4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 326.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 51104521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).