2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine

C13H16BrN3S — CID 105087520

IUPAC2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1ccccc1Br)c1snnc1C
InChIInChI=1S/C13H16BrN3S/c1-3-15-12(13-9(2)16-17-18-13)8-10-6-4-5-7-11(10)14/h4-7,12,15H,3,8H2,1-2H3
InChIKeyIBWAWSSTRDLFAH-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.50
Rot. Bonds5

About 2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine

2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 105087520) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID105087520
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1ccccc1Br)c1snnc1C
InChIInChI=1S/C13H16BrN3S/c1-3-15-12(13-9(2)16-17-18-13)8-10-6-4-5-7-11(10)14/h4-7,12,15H,3,8H2,1-2H3
InChIKeyIBWAWSSTRDLFAH-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105136734
2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105137731
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105131942
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105157384
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105118074
N-[2-(2-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105107566
N-[2-(2-bromo-5-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105151019
[2-(2-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethyl]hydrazine
CID 105285141
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120968
N-[2-(2-bromophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105087531
1-(2-bromo-5-methylphenyl)-2-(2-bromophenyl)-N-ethylethanamine
CID 115787106

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine (CID 105087520) is 2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine is CCNC(Cc1ccccc1Br)c1snnc1C.
What is the InChIKey of 2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is IBWAWSSTRDLFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-3-15-12(13-9(2)16-17-18-13)8-10-6-4-5-7-11(10)14/h4-7,12,15H,3,8H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine has a molecular weight of 326.26 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105087520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).