1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C17H23BrClN3S — CID 120782314

IUPAC1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2csc(-c3cccc(Br)c3)n2)CCC1N.Cl
InChIInChI=1S/C17H22BrN3S.ClH/c1-17(2)11-21(7-6-15(17)19)9-14-10-22-16(20-14)12-4-3-5-13(18)8-12;/h3-5,8,10,15H,6-7,9,11,19H2,1-2H3;1H
InChIKeyXVORZRGXUMFLDR-UHFFFAOYSA-N
MW416.82 g/mol
LogP4.55
Rot. Bonds3

About 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120782314) has the molecular formula C17H23BrClN3S and a molecular weight of 416.82 g/mol. Its IUPAC name is 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120782314
Molecular FormulaC17H23BrClN3S
Molecular Weight416.82 g/mol
Exact Mass415.05
IUPAC Name1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2csc(-c3cccc(Br)c3)n2)CCC1N.Cl
InChIInChI=1S/C17H22BrN3S.ClH/c1-17(2)11-21(7-6-15(17)19)9-14-10-22-16(20-14)12-4-3-5-13(18)8-12;/h3-5,8,10,15H,6-7,9,11,19H2,1-2H3;1H
InChIKeyXVORZRGXUMFLDR-UHFFFAOYSA-N
XLogP4.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120782034
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
CID 33186793
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908908
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120775782
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907162
(3S)-1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxamide
CID 97185843
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
1-[[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120776537
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 120815553
3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120781546
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120776732
1-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-methylpropan-2-amine
CID 116888250

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120782314) is 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2csc(-c3cccc(Br)c3)n2)CCC1N.Cl.
What is the InChIKey of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is XVORZRGXUMFLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3S.ClH/c1-17(2)11-21(7-6-15(17)19)9-14-10-22-16(20-14)12-4-3-5-13(18)8-12;/h3-5,8,10,15H,6-7,9,11,19H2,1-2H3;1H.
What are the key properties of 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 416.82 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120782314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).