N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine

C13H17N3S — CID 171384248

IUPACN,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine
SMILESCN(C)CCN(c1ccsc1)c1ccccn1
InChIInChI=1S/C13H17N3S/c1-15(2)8-9-16(12-6-10-17-11-12)13-5-3-4-7-14-13/h3-7,10-11H,8-9H2,1-2H3
InChIKeyIWQQVNPOKBCZQL-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.84
Rot. Bonds5

About N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine

N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine (PubChem CID 171384248) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine
PubChem CID171384248
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine
SMILESCN(C)CCN(c1ccsc1)c1ccccn1
InChIInChI=1S/C13H17N3S/c1-15(2)8-9-16(12-6-10-17-11-12)13-5-3-4-7-14-13/h3-7,10-11H,8-9H2,1-2H3
InChIKeyIWQQVNPOKBCZQL-UHFFFAOYSA-N
XLogP2.84
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-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 N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine (CID 171384248) is N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine is CN(C)CCN(c1ccsc1)c1ccccn1.
What is the InChIKey of N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine?
The InChIKey is IWQQVNPOKBCZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-15(2)8-9-16(12-6-10-17-11-12)13-5-3-4-7-14-13/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine?
N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine has a molecular weight of 247.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-pyridin-2-yl-N'-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 171384248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).