1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine

C17H20Cl3N3S — CID 118190300

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1c(Cl)cccc1Cl)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C17H20Cl3N3S/c1-22(11-14-15(18)3-2-4-16(14)19)12-5-7-23(8-6-12)10-13-9-21-17(20)24-13/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyUVKUWOAYAYKVLZ-UHFFFAOYSA-N
MW404.79 g/mol
LogP5.20
Rot. Bonds5

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 118190300) has the molecular formula C17H20Cl3N3S and a molecular weight of 404.79 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID118190300
Molecular FormulaC17H20Cl3N3S
Molecular Weight404.79 g/mol
Exact Mass403.04
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1c(Cl)cccc1Cl)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C17H20Cl3N3S/c1-22(11-14-15(18)3-2-4-16(14)19)12-5-7-23(8-6-12)10-13-9-21-17(20)24-13/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyUVKUWOAYAYKVLZ-UHFFFAOYSA-N
XLogP5.20
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.79
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine with MolForge

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190306
1-(2-(2-Chlorophenyl)-1-(thiazol-5-yl)ethyl)piperazine
CID 44414748
4-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methyl-1-(3-methylphenyl)piperazine
CID 3744935
N-[(3-chlorophenyl)methyl]-N-methyl-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190164
1-Benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine
CID 1479744
N-[(2,5-dichlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 118190158
N-[(3-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 118190159
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190161
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 118190162
N-[(2-chlorophenyl)methyl]-1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 118190176
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 118190177
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 118190180

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine (CID 118190300) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine is CN(Cc1c(Cl)cccc1Cl)C1CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is UVKUWOAYAYKVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl3N3S/c1-22(11-14-15(18)3-2-4-16(14)19)12-5-7-23(8-6-12)10-13-9-21-17(20)24-13/h2-4,9,12H,5-8,10-11H2,1H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 404.79 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 118190300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).