3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine

C12H12Br2N2S — CID 106876846

IUPAC3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)Cc2csc(Br)c2)c1Br
InChIInChI=1S/C12H12Br2N2S/c1-8-3-4-15-12(11(8)14)16(2)6-9-5-10(13)17-7-9/h3-5,7H,6H2,1-2H3
InChIKeyCMMMYGFWSROOEW-UHFFFAOYSA-N
MW376.12 g/mol
LogP4.61
Rot. Bonds3

About 3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine

3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine (PubChem CID 106876846) has the molecular formula C12H12Br2N2S and a molecular weight of 376.12 g/mol. Its IUPAC name is 3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
PubChem CID106876846
Molecular FormulaC12H12Br2N2S
Molecular Weight376.12 g/mol
Exact Mass373.91
IUPAC Name3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)Cc2csc(Br)c2)c1Br
InChIInChI=1S/C12H12Br2N2S/c1-8-3-4-15-12(11(8)14)16(2)6-9-5-10(13)17-7-9/h3-5,7H,6H2,1-2H3
InChIKeyCMMMYGFWSROOEW-UHFFFAOYSA-N
XLogP4.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methapyrilene
CID 4098
Thenyldiamine
CID 7066
Methapyrilene Hydrochloride
CID 8667
Thenyldiamine Hydrochloride
CID 24180707
Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
CID 13734
1-(5-Bromopyridin-2-yl)-3-(2-thiophen-2-ylethyl)thiourea
CID 3002121
1-Pyridin-2-yl-4-(thiophen-3-ylmethyl)piperazine
CID 763728
1-[(3-Methylthiophen-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 792508
1-[(5-Bromo-2-thienyl)methyl]-4-(2-pyridinyl)piperazine
CID 2838302
N-[(E)-(3-methylthiophen-2-yl)methylidene]-4-(pyridin-2-yl)piperazin-1-amine
CID 6861842
3-Bromothieno[3,2-c]pyridin-4-amine
CID 18450797
Trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium iodide
CID 5351669

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine (CID 106876846) is 3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine is Cc1ccnc(N(C)Cc2csc(Br)c2)c1Br.
What is the InChIKey of 3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine?
The InChIKey is CMMMYGFWSROOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2S/c1-8-3-4-15-12(11(8)14)16(2)6-9-5-10(13)17-7-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine?
3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine has a molecular weight of 376.12 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 106876846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).