6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine

C13H17N3S — CID 81132314

IUPAC6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C13H17N3S/c1-8-4-6-11(14)13(15-8)16-10(3)12-7-5-9(2)17-12/h4-7,10H,14H2,1-3H3,(H,15,16)
InChIKeyCSEAXUFVTVMWAV-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.52
Rot. Bonds3

About 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine

6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine (PubChem CID 81132314) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine
PubChem CID81132314
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine
SMILESCc1ccc(N)c(NC(C)c2ccc(C)s2)n1
InChIInChI=1S/C13H17N3S/c1-8-4-6-11(14)13(15-8)16-10(3)12-7-5-9(2)17-12/h4-7,10H,14H2,1-3H3,(H,15,16)
InChIKeyCSEAXUFVTVMWAV-UHFFFAOYSA-N
XLogP3.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine (CID 81132314) is 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine is Cc1ccc(N)c(NC(C)c2ccc(C)s2)n1.
What is the InChIKey of 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is CSEAXUFVTVMWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-8-4-6-11(14)13(15-8)16-10(3)12-7-5-9(2)17-12/h4-7,10H,14H2,1-3H3,(H,15,16).
What are the key properties of 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine?
6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 247.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 81132314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).