6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine

C13H14BrN3S — CID 79239659

IUPAC6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CSc2ccc(Br)cn2)n1
InChIInChI=1S/C13H14BrN3S/c1-2-15-12-5-3-4-11(17-12)9-18-13-7-6-10(14)8-16-13/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyQAAIZJBLRBVEQG-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.96
Rot. Bonds5

About 6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine

6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine (PubChem CID 79239659) has the molecular formula C13H14BrN3S and a molecular weight of 324.25 g/mol. Its IUPAC name is 6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
PubChem CID79239659
Molecular FormulaC13H14BrN3S
Molecular Weight324.25 g/mol
Exact Mass323.01
IUPAC Name6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CSc2ccc(Br)cn2)n1
InChIInChI=1S/C13H14BrN3S/c1-2-15-12-5-3-4-11(17-12)9-18-13-7-6-10(14)8-16-13/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyQAAIZJBLRBVEQG-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Trovirdine
CID 3000870
Trovirdine hydrochloride
CID 5327620
4-(3-Bromophenylthio)-2-(pyridin-2-yl)pyrimidine
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1-(5-Bromopyridin-2-yl)-3-(2-thiophen-2-ylethyl)thiourea
CID 3002121
N-phenyl-6-[(2-pyridinylthio)methyl]-1,3,5-triazine-2,4-diamine
CID 668614
N-(5-bromopyridin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 934679
N-(2-bromophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 2214248
N-(5-bromopyridin-2-yl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 3275372
(6-Methyl-pyridin-2-yl)-(3-methylsulfanyl-pyridin-2-yl)-amine
CID 44404932
N-(5-Bromo-pyridin-2-yl)-2-(4,6-dimethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 1034973
2-(2-((5-Bromo-2-pyridyl)amino)vinyl)-1-ethyl-6-methylpyridinium iodide
CID 6451275
N-(5-bromopyridin-2-yl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
CID 4600212

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The IUPAC name of 6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine (CID 79239659) is 6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine is CCNc1cccc(CSc2ccc(Br)cn2)n1.
What is the InChIKey of 6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
The InChIKey is QAAIZJBLRBVEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3S/c1-2-15-12-5-3-4-11(17-12)9-18-13-7-6-10(14)8-16-13/h3-8H,2,9H2,1H3,(H,15,17).
What are the key properties of 6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine?
6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine has a molecular weight of 324.25 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 79239659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).