1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine

C15H15BrN2OS — CID 105169267

IUPAC1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H15BrN2OS/c1-2-17-12(9-14-18-6-7-20-14)13-8-10-4-3-5-11(16)15(10)19-13/h3-8,12,17H,2,9H2,1H3
InChIKeyZZLZNMWUXFZWCH-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.55
Rot. Bonds5

About 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine

1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 105169267) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID105169267
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCNC(Cc1nccs1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H15BrN2OS/c1-2-17-12(9-14-18-6-7-20-14)13-8-10-4-3-5-11(16)15(10)19-13/h3-8,12,17H,2,9H2,1H3
InChIKeyZZLZNMWUXFZWCH-UHFFFAOYSA-N
XLogP4.55
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 105139336
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105137627
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175123
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864
1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015176
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015235
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 105150403

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine (CID 105169267) is 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine is CCNC(Cc1nccs1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZZLZNMWUXFZWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-2-17-12(9-14-18-6-7-20-14)13-8-10-4-3-5-11(16)15(10)19-13/h3-8,12,17H,2,9H2,1H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine?
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 351.27 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 105169267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).