2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine

C4H6BrN3S — CID 83883572

IUPAC2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine
SMILESNCCc1nsc(Br)n1
InChIInChI=1S/C4H6BrN3S/c5-4-7-3(1-2-6)8-9-4/h1-2,6H2
InChIKeyPPFDVKJXRBXJOO-UHFFFAOYSA-N
MW208.08 g/mol
LogP0.80
Rot. Bonds2

About 2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine

2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine (PubChem CID 83883572) has the molecular formula C4H6BrN3S and a molecular weight of 208.08 g/mol. Its IUPAC name is 2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine
PubChem CID83883572
Molecular FormulaC4H6BrN3S
Molecular Weight208.08 g/mol
Exact Mass206.95
IUPAC Name2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine
SMILESNCCc1nsc(Br)n1
InChIInChI=1S/C4H6BrN3S/c5-4-7-3(1-2-6)8-9-4/h1-2,6H2
InChIKeyPPFDVKJXRBXJOO-UHFFFAOYSA-N
XLogP0.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-methylpropyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82406035
1-(5-bromo-1,2,4-thiadiazol-3-yl)propan-2-amine
CID 83890411
2-(3-ethyl-1,2,4-thiadiazol-5-yl)ethanamine
CID 65280810
5-bromo-3-(tert-butylsulfanylmethyl)-1,2,4-thiadiazole
CID 102618030
5-bromo-3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 102617853
2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine
CID 82406037
2-(4-bromopyrimidin-2-yl)ethanamine
CID 105454055
5-bromo-3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 102618150
3-(5-cyclopropyl-1,2,4-thiadiazol-3-yl)propan-1-amine
CID 82406957
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
CID 102617959
2-(4,6-dichloro-1,3,5-triazin-2-yl)ethanamine
CID 57174949
N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide
CID 167839111

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine (CID 83883572) is 2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine is NCCc1nsc(Br)n1.
What is the InChIKey of 2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine?
The InChIKey is PPFDVKJXRBXJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrN3S/c5-4-7-3(1-2-6)8-9-4/h1-2,6H2.
What are the key properties of 2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine?
2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine has a molecular weight of 208.08 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,2,4-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 83883572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).