N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine

C13H16N2S — CID 78973953

IUPACN-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1sccc1C
InChIInChI=1S/C13H16N2S/c1-3-15-12(11-5-4-7-14-9-11)13-10(2)6-8-16-13/h4-9,12,15H,3H2,1-2H3
InChIKeyANEYPTAQUBHVTG-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.15
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine

N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine (PubChem CID 78973953) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
PubChem CID78973953
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)c1sccc1C
InChIInChI=1S/C13H16N2S/c1-3-15-12(11-5-4-7-14-9-11)13-10(2)6-8-16-13/h4-9,12,15H,3H2,1-2H3
InChIKeyANEYPTAQUBHVTG-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine 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

N-[(2-methylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 102831849
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[(3-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 105027336
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55006868
(3-methylthiophen-2-yl)-pyridin-3-ylmethanamine
CID 78973972
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine
CID 105021434
N-[(2-methyl-1,3-thiazol-4-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098256
N-[(5-bromothiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 105098243
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(2,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 43491878
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine (CID 78973953) is N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)c1sccc1C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine?
The InChIKey is ANEYPTAQUBHVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-15-12(11-5-4-7-14-9-11)13-10(2)6-8-16-13/h4-9,12,15H,3H2,1-2H3.
What are the key properties of N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine?
N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 78973953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).