4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole

C22H30N2O2S — CID 86873877

IUPAC4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(CN3CCC(OC4CCCCC4)CC3)cs2)cc1
InChIInChI=1S/C22H30N2O2S/c1-25-19-9-7-17(8-10-19)22-23-18(16-27-22)15-24-13-11-21(12-14-24)26-20-5-3-2-4-6-20/h7-10,16,20-21H,2-6,11-15H2,1H3
InChIKeyKBVRSFVJAQFZCZ-UHFFFAOYSA-N
MW386.56 g/mol
LogP5.13
Rot. Bonds6

About 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole

4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 86873877) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
PubChem CID86873877
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(CN3CCC(OC4CCCCC4)CC3)cs2)cc1
InChIInChI=1S/C22H30N2O2S/c1-25-19-9-7-17(8-10-19)22-23-18(16-27-22)15-24-13-11-21(12-14-24)26-20-5-3-2-4-6-20/h7-10,16,20-21H,2-6,11-15H2,1H3
InChIKeyKBVRSFVJAQFZCZ-UHFFFAOYSA-N
XLogP5.13
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole with MolForge

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Related Compounds

2-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 24623494
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668
2-(4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 39721537
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
4-(chloromethyl)-2-[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]-1,3-thiazole
CID 103536540
3-[[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24623488
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 25225119
1-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 78788253
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907156
2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 46083181
4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 31112463

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole (CID 86873877) is 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2nc(CN3CCC(OC4CCCCC4)CC3)cs2)cc1.
What is the InChIKey of 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is KBVRSFVJAQFZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-25-19-9-7-17(8-10-19)22-23-18(16-27-22)15-24-13-11-21(12-14-24)26-20-5-3-2-4-6-20/h7-10,16,20-21H,2-6,11-15H2,1H3.
What are the key properties of 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole?
4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 386.56 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 86873877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).