2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine

C12H15BrN2S2 — CID 114031628

IUPAC2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1sccc1Br)c1cnc(C)s1
InChIInChI=1S/C12H15BrN2S2/c1-3-14-10(12-7-15-8(2)17-12)6-11-9(13)4-5-16-11/h4-5,7,10,14H,3,6H2,1-2H3
InChIKeyJPMINQINTLJCOO-UHFFFAOYSA-N
MW331.30 g/mol
LogP4.17
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine

2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 114031628) has the molecular formula C12H15BrN2S2 and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID114031628
Molecular FormulaC12H15BrN2S2
Molecular Weight331.30 g/mol
Exact Mass329.99
IUPAC Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1sccc1Br)c1cnc(C)s1
InChIInChI=1S/C12H15BrN2S2/c1-3-14-10(12-7-15-8(2)17-12)6-11-9(13)4-5-16-11/h4-5,7,10,14H,3,6H2,1-2H3
InChIKeyJPMINQINTLJCOO-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031624
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
N-ethyl-2-(3-methyl-2-pyridinyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031215
2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105139611
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
N-[1-(2-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 114031683
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
CID 107102242
2-(3-bromothiophen-2-yl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374586
N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 114031628) is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is CCNC(Cc1sccc1Br)c1cnc(C)s1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is JPMINQINTLJCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2S2/c1-3-14-10(12-7-15-8(2)17-12)6-11-9(13)4-5-16-11/h4-5,7,10,14H,3,6H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 331.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 114031628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).