2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine

C11H12BrN3S — CID 105087401

IUPAC2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1ccccc1Br)c1cnsn1
InChIInChI=1S/C11H12BrN3S/c1-13-10(11-7-14-16-15-11)6-8-4-2-3-5-9(8)12/h2-5,7,10,13H,6H2,1H3
InChIKeySGORLJJSIGXMAX-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.80
Rot. Bonds4

About 2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine

2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine (PubChem CID 105087401) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
PubChem CID105087401
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCNC(Cc1ccccc1Br)c1cnsn1
InChIInChI=1S/C11H12BrN3S/c1-13-10(11-7-14-16-15-11)6-8-4-2-3-5-9(8)12/h2-5,7,10,13H,6H2,1H3
InChIKeySGORLJJSIGXMAX-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105139432
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 114167019
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine
CID 63222720
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 102622751
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105164834
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82901988
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105171443

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine (CID 105087401) is 2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine is CNC(Cc1ccccc1Br)c1cnsn1.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The InChIKey is SGORLJJSIGXMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-13-10(11-7-14-16-15-11)6-8-4-2-3-5-9(8)12/h2-5,7,10,13H,6H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine?
2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine has a molecular weight of 298.21 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 105087401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).