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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).