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

C14H17BrN2OS — CID 63280036

IUPAC1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2scnc2C)cc1Br
InChIInChI=1S/C14H17BrN2OS/c1-9(16-7-14-10(2)17-8-19-14)11-4-5-13(18-3)12(15)6-11/h4-6,8-9,16H,7H2,1-3H3
InChIKeyJXOLTCDOGVGVGW-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.07
Rot. Bonds5

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

1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 63280036) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID63280036
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2scnc2C)cc1Br
InChIInChI=1S/C14H17BrN2OS/c1-9(16-7-14-10(2)17-8-19-14)11-4-5-13(18-3)12(15)6-11/h4-6,8-9,16H,7H2,1-3H3
InChIKeyJXOLTCDOGVGVGW-UHFFFAOYSA-N
XLogP4.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63279811
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
(1S)-1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 97231637
1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305921
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
1-(3-bromo-4-methoxyphenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 86843042
5-bromo-2,4-dimethoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 86817191
1-(3-bromo-4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 113219579
1-(3-bromo-4-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238584
4-[1-(3-bromo-4-methoxyphenyl)ethylamino]butan-2-ol
CID 64912156

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 63280036) is 1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is COc1ccc(C(C)NCc2scnc2C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is JXOLTCDOGVGVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-9(16-7-14-10(2)17-8-19-14)11-4-5-13(18-3)12(15)6-11/h4-6,8-9,16H,7H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 341.27 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 63280036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).