1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine

C14H17BrN2OS — CID 102947651

IUPAC1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCc1nccs1
InChIInChI=1S/C14H17BrN2OS/c1-3-16-10(2)12-5-4-11(15)8-13(12)18-9-14-17-6-7-19-14/h4-8,10,16H,3,9H2,1-2H3
InChIKeyNQFKMZFTKCCWJJ-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.16
Rot. Bonds6

About 1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine

1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine (PubChem CID 102947651) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine
PubChem CID102947651
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OCc1nccs1
InChIInChI=1S/C14H17BrN2OS/c1-3-16-10(2)12-5-4-11(15)8-13(12)18-9-14-17-6-7-19-14/h4-8,10,16H,3,9H2,1-2H3
InChIKeyNQFKMZFTKCCWJJ-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947675
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947607
1-(4-bromo-2-phenylmethoxyphenyl)-N-ethylethanamine
CID 82976068
1-[4-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947693
1-(4-bromo-2-butoxyphenyl)-N-ethylethanamine
CID 82976092
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
1-[4-bromo-2-(2-pyridin-4-ylethoxy)phenyl]-N-ethylethanamine
CID 102947767
1-[4-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 102947792
1-[5-bromo-2-(1,3-thiazol-2-ylsulfanyl)phenyl]-N-ethylethanamine
CID 82969989
1-[2-[(4-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640996
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 102947741
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine (CID 102947651) is 1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1OCc1nccs1.
What is the InChIKey of 1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine?
The InChIKey is NQFKMZFTKCCWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-3-16-10(2)12-5-4-11(15)8-13(12)18-9-14-17-6-7-19-14/h4-8,10,16H,3,9H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine?
1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine has a molecular weight of 341.27 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(1,3-thiazol-2-ylmethoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 102947651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).