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

C22H23ClN2OS — CID 46083181

IUPAC2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccccc1C1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C22H23ClN2OS/c1-26-21-5-3-2-4-20(21)16-10-12-25(13-11-16)14-19-15-27-22(24-19)17-6-8-18(23)9-7-17/h2-9,15-16H,10-14H2,1H3
InChIKeyVFQDRVSOAMGDGZ-UHFFFAOYSA-N
MW398.96 g/mol
LogP5.85
Rot. Bonds5

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

2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 46083181) has the molecular formula C22H23ClN2OS and a molecular weight of 398.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID46083181
Molecular FormulaC22H23ClN2OS
Molecular Weight398.96 g/mol
Exact Mass398.12
IUPAC Name2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccccc1C1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C22H23ClN2OS/c1-26-21-5-3-2-4-20(21)16-10-12-25(13-11-16)14-19-15-27-22(24-19)17-6-8-18(23)9-7-17/h2-9,15-16H,10-14H2,1H3
InChIKeyVFQDRVSOAMGDGZ-UHFFFAOYSA-N
XLogP5.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.96
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole
CID 55591542
(3R,4R)-1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3,4-diamine
CID 166253779
4-[(4-cyclohexyloxypiperidin-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 86873877
1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol
CID 74227411
butane;6-chloro-2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 143407737
[1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 16605901
4-(2-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698
4-[4-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]phenyl]-1,3-thiazol-2-amine
CID 14819327
2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18707228
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909373

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 46083181) is 2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole is COc1ccccc1C1CCN(Cc2csc(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is VFQDRVSOAMGDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2OS/c1-26-21-5-3-2-4-20(21)16-10-12-25(13-11-16)14-19-15-27-22(24-19)17-6-8-18(23)9-7-17/h2-9,15-16H,10-14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 398.96 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 46083181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).