4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole

C16H20N2OS — CID 84570130

IUPAC4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(CN3CCCCC3)n2)cc1
InChIInChI=1S/C16H20N2OS/c1-19-14-7-5-13(6-8-14)15-12-20-16(17-15)11-18-9-3-2-4-10-18/h5-8,12H,2-4,9-11H2,1H3
InChIKeyXVLYNOUIOZRRDE-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.80
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole

4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole (PubChem CID 84570130) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
PubChem CID84570130
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(CN3CCCCC3)n2)cc1
InChIInChI=1S/C16H20N2OS/c1-19-14-7-5-13(6-8-14)15-12-20-16(17-15)11-18-9-3-2-4-10-18/h5-8,12H,2-4,9-11H2,1H3
InChIKeyXVLYNOUIOZRRDE-UHFFFAOYSA-N
XLogP3.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463638
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977
4-(4-methoxy-2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566831
4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566788
2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780229
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463647
2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463697
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-4-phenyl-1,3-thiazole;methane
CID 158416700
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463674
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole (CID 84570130) is 4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole is COc1ccc(-c2csc(CN3CCCCC3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is XVLYNOUIOZRRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-14-7-5-13(6-8-14)15-12-20-16(17-15)11-18-9-3-2-4-10-18/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 288.42 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 84570130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).