5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine

C11H12BrN3S — CID 61227691

IUPAC5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
SMILESCC(Nc1ncc(Br)cc1N)c1cccs1
InChIInChI=1S/C11H12BrN3S/c1-7(10-3-2-4-16-10)15-11-9(13)5-8(12)6-14-11/h2-7H,13H2,1H3,(H,14,15)
InChIKeyUEJMDIZQFSJLTE-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.66
Rot. Bonds3

About 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine

5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine (PubChem CID 61227691) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
PubChem CID61227691
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine
SMILESCC(Nc1ncc(Br)cc1N)c1cccs1
InChIInChI=1S/C11H12BrN3S/c1-7(10-3-2-4-16-10)15-11-9(13)5-8(12)6-14-11/h2-7H,13H2,1H3,(H,14,15)
InChIKeyUEJMDIZQFSJLTE-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 54952971
5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid
CID 62000750
3-bromo-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 116783435
5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80906692
5-bromo-2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 54964038
5-bromo-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 106215700
5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 103467928
5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148004
5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 106811735
5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 62169182
5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 61229631
5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
CID 62305722

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine (CID 61227691) is 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine is CC(Nc1ncc(Br)cc1N)c1cccs1.
What is the InChIKey of 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine?
The InChIKey is UEJMDIZQFSJLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-7(10-3-2-4-16-10)15-11-9(13)5-8(12)6-14-11/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine?
5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine has a molecular weight of 298.21 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(1-thiophen-2-ylethyl)pyridine-2,3-diamine is sourced from PubChem (CID 61227691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).