(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine

C14H17BrN2OS — CID 63370489

IUPAC(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
SMILESCc1ncsc1CCOc1ccc([C@H](C)N)cc1Br
InChIInChI=1S/C14H17BrN2OS/c1-9(16)11-3-4-13(12(15)7-11)18-6-5-14-10(2)17-8-19-14/h3-4,7-9H,5-6,16H2,1-2H3/t9-/m0/s1
InChIKeyGOHWEHLVUKMIFI-VIFPVBQESA-N
MW341.27 g/mol
LogP3.86
Rot. Bonds5

About (1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine

(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine (PubChem CID 63370489) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is (1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
PubChem CID63370489
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
SMILESCc1ncsc1CCOc1ccc([C@H](C)N)cc1Br
InChIInChI=1S/C14H17BrN2OS/c1-9(16)11-3-4-13(12(15)7-11)18-6-5-14-10(2)17-8-19-14/h3-4,7-9H,5-6,16H2,1-2H3/t9-/m0/s1
InChIKeyGOHWEHLVUKMIFI-VIFPVBQESA-N
XLogP3.86
TPSA48.14 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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 63050480
1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62072174
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
CID 82915384
(1R)-1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 78937706
1-(3-bromo-4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280036
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
3-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 43518282
(1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 78938265
1-[3-bromo-4-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 62911577
5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole
CID 61373558

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine (CID 63370489) is (1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine is Cc1ncsc1CCOc1ccc([C@H](C)N)cc1Br.
What is the InChIKey of (1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
The InChIKey is GOHWEHLVUKMIFI-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-9(16)11-3-4-13(12(15)7-11)18-6-5-14-10(2)17-8-19-14/h3-4,7-9H,5-6,16H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine?
(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine has a molecular weight of 341.27 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 63370489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).