1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine

C17H22BrN3OS — CID 119918222

IUPAC1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2csc(-c3cc(Br)ccc3OC)n2)C1
InChIInChI=1S/C17H22BrN3OS/c1-19-13-4-3-7-21(9-13)10-14-11-23-17(20-14)15-8-12(18)5-6-16(15)22-2/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3
InChIKeyZFADDEWHKKKGBX-UHFFFAOYSA-N
MW396.35 g/mol
LogP3.77
Rot. Bonds5

About 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine

1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine (PubChem CID 119918222) has the molecular formula C17H22BrN3OS and a molecular weight of 396.35 g/mol. Its IUPAC name is 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
PubChem CID119918222
Molecular FormulaC17H22BrN3OS
Molecular Weight396.35 g/mol
Exact Mass395.07
IUPAC Name1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2csc(-c3cc(Br)ccc3OC)n2)C1
InChIInChI=1S/C17H22BrN3OS/c1-19-13-4-3-7-21(9-13)10-14-11-23-17(20-14)15-8-12(18)5-6-16(15)22-2/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3
InChIKeyZFADDEWHKKKGBX-UHFFFAOYSA-N
XLogP3.77
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 119918228
[1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanol
CID 55702121
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128
N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
CID 120913071
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 60671972
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272
N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119918423
2-(5-bromo-2-methoxyphenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-thiazole
CID 18226999
N-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-cyclopropyl-1-phenylmethanamine
CID 112806604
3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]propanoic acid
CID 119911824
dimethyl 5-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzene-1,3-dicarboxylate
CID 16571362

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine (CID 119918222) is 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine is CNC1CCCN(Cc2csc(-c3cc(Br)ccc3OC)n2)C1.
What is the InChIKey of 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine?
The InChIKey is ZFADDEWHKKKGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3OS/c1-19-13-4-3-7-21(9-13)10-14-11-23-17(20-14)15-8-12(18)5-6-16(15)22-2/h5-6,8,11,13,19H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine?
1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine has a molecular weight of 396.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 119918222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).