2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine

C8H8BrN3S2 — CID 105134491

IUPAC2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine
SMILESNC(Cc1ccc(Br)s1)c1csnn1
InChIInChI=1S/C8H8BrN3S2/c9-8-2-1-5(14-8)3-6(10)7-4-13-12-11-7/h1-2,4,6H,3,10H2
InChIKeyCTGPXQQZVXRZTH-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.60
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine

2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105134491) has the molecular formula C8H8BrN3S2 and a molecular weight of 290.21 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine
PubChem CID105134491
Molecular FormulaC8H8BrN3S2
Molecular Weight290.21 g/mol
Exact Mass288.93
IUPAC Name2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine
SMILESNC(Cc1ccc(Br)s1)c1csnn1
InChIInChI=1S/C8H8BrN3S2/c9-8-2-1-5(14-8)3-6(10)7-4-13-12-11-7/h1-2,4,6H,3,10H2
InChIKeyCTGPXQQZVXRZTH-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530366
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105134853
2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877921
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
2-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
CID 115840906
1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841235
1-(4-bromo-3-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841293
2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115841290

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine (CID 105134491) is 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine is NC(Cc1ccc(Br)s1)c1csnn1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is CTGPXQQZVXRZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S2/c9-8-2-1-5(14-8)3-6(10)7-4-13-12-11-7/h1-2,4,6H,3,10H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 290.21 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105134491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).