3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine

C13H14Cl2N2S — CID 102753546

IUPAC3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2ccc(C)s2)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2S/c1-3-6-16-13-10(15)7-9(14)12(17-13)11-5-4-8(2)18-11/h4-5,7H,3,6H2,1-2H3,(H,16,17)
InChIKeyOPEOEQXDYMOECI-UHFFFAOYSA-N
MW301.24 g/mol
LogP5.25
Rot. Bonds4

About 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine

3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine (PubChem CID 102753546) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine
PubChem CID102753546
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2ccc(C)s2)c(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2S/c1-3-6-16-13-10(15)7-9(14)12(17-13)11-5-4-8(2)18-11/h4-5,7H,3,6H2,1-2H3,(H,16,17)
InChIKeyOPEOEQXDYMOECI-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.24
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-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 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine (CID 102753546) is 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine is CCCNc1nc(-c2ccc(C)s2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine?
The InChIKey is OPEOEQXDYMOECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-3-6-16-13-10(15)7-9(14)12(17-13)11-5-4-8(2)18-11/h4-5,7H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine?
3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine has a molecular weight of 301.24 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine is sourced from PubChem (CID 102753546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).