1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine

C12H15BrN2OS — CID 114182346

IUPAC1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2cc(Br)cs2)o1
InChIInChI=1S/C12H15BrN2OS/c1-7-5-14-12(16-7)9(3)15-8(2)11-4-10(13)6-17-11/h4-6,8-9,15H,1-3H3
InChIKeyRZYPLCWYMQJVKG-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.22
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine (PubChem CID 114182346) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
PubChem CID114182346
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2cc(Br)cs2)o1
InChIInChI=1S/C12H15BrN2OS/c1-7-5-14-12(16-7)9(3)15-8(2)11-4-10(13)6-17-11/h4-6,8-9,15H,1-3H3
InChIKeyRZYPLCWYMQJVKG-UHFFFAOYSA-N
XLogP4.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 103893462
1-(4-bromothiophen-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]ethanamine
CID 107167357
1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 114182320
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 114182327
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 106388022
1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387901
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-3-amine
CID 106544957
N-[1-(4-bromothiophen-2-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 107354090
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]ethyl]benzene-1,4-diol
CID 106388008
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
4-bromo-1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387609

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine (CID 114182346) is 1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine is Cc1cnc(C(C)NC(C)c2cc(Br)cs2)o1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The InChIKey is RZYPLCWYMQJVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-7-5-14-12(16-7)9(3)15-8(2)11-4-10(13)6-17-11/h4-6,8-9,15H,1-3H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine has a molecular weight of 315.24 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 114182346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).