2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole

C17H21ClN2S — CID 22198040

IUPAC2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CC(C)CN(Cc2csc(-c3ccccc3Cl)n2)C1
InChIInChI=1S/C17H21ClN2S/c1-12-7-13(2)9-20(8-12)10-14-11-21-17(19-14)15-5-3-4-6-16(15)18/h3-6,11-13H,7-10H2,1-2H3
InChIKeyWJNCBWDWRAFERK-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.94
Rot. Bonds3

About 2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole

2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 22198040) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID22198040
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC Name2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CC(C)CN(Cc2csc(-c3ccccc3Cl)n2)C1
InChIInChI=1S/C17H21ClN2S/c1-12-7-13(2)9-20(8-12)10-14-11-21-17(19-14)15-5-3-4-6-16(15)18/h3-6,11-13H,7-10H2,1-2H3
InChIKeyWJNCBWDWRAFERK-UHFFFAOYSA-N
XLogP4.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22197700
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 43556502
4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 115969326
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966903
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
CID 80703333
4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22194703
4-[[4-(chloromethyl)triazol-1-yl]methyl]-2-(2-chlorophenyl)-1,3-thiazole
CID 62400080
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 17436803
5-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122120995
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60641063

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole (CID 22198040) is 2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole is CC1CC(C)CN(Cc2csc(-c3ccccc3Cl)n2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is WJNCBWDWRAFERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-12-7-13(2)9-20(8-12)10-14-11-21-17(19-14)15-5-3-4-6-16(15)18/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole?
2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 320.89 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 22198040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).