2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine

C10H9BrFN3S — CID 105169436

IUPAC2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1cnns1
InChIInChI=1S/C10H9BrFN3S/c11-7-1-6(2-8(12)4-7)3-9(13)10-5-14-15-16-10/h1-2,4-5,9H,3,13H2
InChIKeyBGAUXGLEEMFFRM-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.68
Rot. Bonds3

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

2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine (PubChem CID 105169436) has the molecular formula C10H9BrFN3S and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
PubChem CID105169436
Molecular FormulaC10H9BrFN3S
Molecular Weight302.17 g/mol
Exact Mass300.97
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
SMILESNC(Cc1cc(F)cc(Br)c1)c1cnns1
InChIInChI=1S/C10H9BrFN3S/c11-7-1-6(2-8(12)4-7)3-9(13)10-5-14-15-16-10/h1-2,4-5,9H,3,13H2
InChIKeyBGAUXGLEEMFFRM-UHFFFAOYSA-N
XLogP2.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105087109
2-(3-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015725
2-(3-bromo-5-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 105015396
2-(3-bromo-5-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105015577
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79709215
2-(3-bromo-5-fluorophenyl)-1-pyridin-2-ylethanamine
CID 79702482
2-(3-bromo-5-fluorophenyl)-1-quinoxalin-2-ylethanamine
CID 107357326
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 105015454
2-(3-bromo-5-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanamine
CID 105015800
2-(3-bromo-5-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 79709295
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine (CID 105169436) is 2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine is NC(Cc1cc(F)cc(Br)c1)c1cnns1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine?
The InChIKey is BGAUXGLEEMFFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3S/c11-7-1-6(2-8(12)4-7)3-9(13)10-5-14-15-16-10/h1-2,4-5,9H,3,13H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine?
2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine has a molecular weight of 302.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105169436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).