4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole

C18H21N5S — CID 70704927

IUPAC4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)ccn1
InChIInChI=1S/C18H21N5S/c1-14-10-17(2-5-19-14)22-7-3-15(4-8-22)18-20-6-9-23(18)11-16-12-24-13-21-16/h2,5-6,9-10,12-13,15H,3-4,7-8,11H2,1H3
InChIKeyHXUVDJYAVDJVPM-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.48
Rot. Bonds4

About 4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole

4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 70704927) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID70704927
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)ccn1
InChIInChI=1S/C18H21N5S/c1-14-10-17(2-5-19-14)22-7-3-15(4-8-22)18-20-6-9-23(18)11-16-12-24-13-21-16/h2,5-6,9-10,12-13,15H,3-4,7-8,11H2,1H3
InChIKeyHXUVDJYAVDJVPM-UHFFFAOYSA-N
XLogP3.48
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole (CID 70704927) is 4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole is Cc1cc(N2CCC(c3nccn3Cc3cscn3)CC2)ccn1.
What is the InChIKey of 4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is HXUVDJYAVDJVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-14-10-17(2-5-19-14)22-7-3-15(4-8-22)18-20-6-9-23(18)11-16-12-24-13-21-16/h2,5-6,9-10,12-13,15H,3-4,7-8,11H2,1H3.
What are the key properties of 4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole?
4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 339.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 70704927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).