2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine

C12H14BrN3S — CID 105087328

IUPAC2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCc1nnsc1C(N)Cc1ccccc1Br
InChIInChI=1S/C12H14BrN3S/c1-2-11-12(17-16-15-11)10(14)7-8-5-3-4-6-9(8)13/h3-6,10H,2,7,14H2,1H3
InChIKeyXZCIBRCSFQJFDM-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.11
Rot. Bonds4

About 2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine

2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine (PubChem CID 105087328) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
PubChem CID105087328
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCc1nnsc1C(N)Cc1ccccc1Br
InChIInChI=1S/C12H14BrN3S/c1-2-11-12(17-16-15-11)10(14)7-8-5-3-4-6-9(8)13/h3-6,10H,2,7,14H2,1H3
InChIKeyXZCIBRCSFQJFDM-UHFFFAOYSA-N
XLogP3.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
CID 105084360
2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102866349
2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105157299
1-(4-ethylthiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137431
1-(4-ethylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078091
2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105087520
[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]hydrazine
CID 105297089
2-(2-bromo-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105087909
[2-(2-bromophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethyl]hydrazine
CID 105283999
1-(4-ethylthiadiazol-5-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167023
1-(4-ethylthiadiazol-5-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064868
2-cyclopropyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105152733

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine (CID 105087328) is 2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine is CCc1nnsc1C(N)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The InChIKey is XZCIBRCSFQJFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-2-11-12(17-16-15-11)10(14)7-8-5-3-4-6-9(8)13/h3-6,10H,2,7,14H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine has a molecular weight of 312.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105087328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).