2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine

C12H16BrN3S2 — CID 105139611

IUPAC2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1sccc1Br)c1snnc1CC
InChIInChI=1S/C12H16BrN3S2/c1-3-9-12(18-16-15-9)10(14-4-2)7-11-8(13)5-6-17-11/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyRTYBPMNHIVKRKV-UHFFFAOYSA-N
MW346.32 g/mol
LogP3.82
Rot. Bonds6

About 2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine

2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine (PubChem CID 105139611) has the molecular formula C12H16BrN3S2 and a molecular weight of 346.32 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
PubChem CID105139611
Molecular FormulaC12H16BrN3S2
Molecular Weight346.32 g/mol
Exact Mass345.00
IUPAC Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1sccc1Br)c1snnc1CC
InChIInChI=1S/C12H16BrN3S2/c1-3-9-12(18-16-15-9)10(14-4-2)7-11-8(13)5-6-17-11/h5-6,10,14H,3-4,7H2,1-2H3
InChIKeyRTYBPMNHIVKRKV-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethyl]hydrazine
CID 105299495
2-(3-bromothiophen-2-yl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374586
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031628
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105139402
1-(3-bromothiophen-2-yl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105139574

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine (CID 105139611) is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine is CCNC(Cc1sccc1Br)c1snnc1CC.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
The InChIKey is RTYBPMNHIVKRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S2/c1-3-9-12(18-16-15-9)10(14-4-2)7-11-8(13)5-6-17-11/h5-6,10,14H,3-4,7H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine?
2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine has a molecular weight of 346.32 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105139611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).