4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole

C16H18N6S — CID 70744946

IUPAC4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESc1cnc(N2CCC(c3nccn3Cc3cscn3)CC2)nc1
InChIInChI=1S/C16H18N6S/c1-4-18-16(19-5-1)21-7-2-13(3-8-21)15-17-6-9-22(15)10-14-11-23-12-20-14/h1,4-6,9,11-13H,2-3,7-8,10H2
InChIKeyQMIPNWVCVVJNLJ-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.56
Rot. Bonds4

About 4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole

4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 70744946) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID70744946
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESc1cnc(N2CCC(c3nccn3Cc3cscn3)CC2)nc1
InChIInChI=1S/C16H18N6S/c1-4-18-16(19-5-1)21-7-2-13(3-8-21)15-17-6-9-22(15)10-14-11-23-12-20-14/h1,4-6,9,11-13H,2-3,7-8,10H2
InChIKeyQMIPNWVCVVJNLJ-UHFFFAOYSA-N
XLogP2.56
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole (CID 70744946) is 4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole is c1cnc(N2CCC(c3nccn3Cc3cscn3)CC2)nc1.
What is the InChIKey of 4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is QMIPNWVCVVJNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-4-18-16(19-5-1)21-7-2-13(3-8-21)15-17-6-9-22(15)10-14-11-23-12-20-14/h1,4-6,9,11-13H,2-3,7-8,10H2.
What are the key properties of 4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole?
4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 326.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-pyrimidin-2-ylpiperidin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 70744946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).