1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

C18H21ClF3N3S — CID 71844487

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCN(Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C18H21ClF3N3S/c1-24(11-13-3-2-4-14(9-13)18(20,21)22)15-5-7-25(8-6-15)12-16-10-23-17(19)26-16/h2-4,9-10,15H,5-8,11-12H2,1H3
InChIKeyCVWJJRJVPGRFGW-UHFFFAOYSA-N
MW403.90 g/mol
LogP4.91
Rot. Bonds5

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 71844487) has the molecular formula C18H21ClF3N3S and a molecular weight of 403.90 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
PubChem CID71844487
Molecular FormulaC18H21ClF3N3S
Molecular Weight403.90 g/mol
Exact Mass403.11
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
SMILESCN(Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C18H21ClF3N3S/c1-24(11-13-3-2-4-14(9-13)18(20,21)22)15-5-7-25(8-6-15)12-16-10-23-17(19)26-16/h2-4,9-10,15H,5-8,11-12H2,1H3
InChIKeyCVWJJRJVPGRFGW-UHFFFAOYSA-N
XLogP4.91
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-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
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-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
CID 134804929
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
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190201
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylpiperidin-4-amine
CID 118190219
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190225
1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190293
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 118190298

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 71844487) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is CN(Cc1cccc(C(F)(F)F)c1)C1CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is CVWJJRJVPGRFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF3N3S/c1-24(11-13-3-2-4-14(9-13)18(20,21)22)15-5-7-25(8-6-15)12-16-10-23-17(19)26-16/h2-4,9-10,15H,5-8,11-12H2,1H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 403.90 g/mol, XLogP of 4.91, 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-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 71844487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).