1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine

C13H16N2S — CID 65239417

IUPAC1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine
SMILESCc1cc(C(N)Cc2ccccn2)sc1C
InChIInChI=1S/C13H16N2S/c1-9-7-13(16-10(9)2)12(14)8-11-5-3-4-6-15-11/h3-7,12H,8,14H2,1-2H3
InChIKeyPSZQYDCOBAFOFJ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.00
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine

1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine (PubChem CID 65239417) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine
PubChem CID65239417
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine
SMILESCc1cc(C(N)Cc2ccccn2)sc1C
InChIInChI=1S/C13H16N2S/c1-9-7-13(16-10(9)2)12(14)8-11-5-3-4-6-15-11/h3-7,12H,8,14H2,1-2H3
InChIKeyPSZQYDCOBAFOFJ-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine 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

2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
1-(3-fluoro-4-methylphenyl)-2-pyridin-2-ylethanamine
CID 43118868
2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
CID 79996962
1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine
CID 105158058
1-(4,5-dimethylthiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029526
2-(3,5-dimethylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115800599
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
1-(4,5-dimethylthiophen-2-yl)-3-phenylpropan-1-amine
CID 115794294
1-(3-fluoro-5-methylphenyl)-2-pyridin-2-ylethanamine
CID 79703275
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
2-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 83972764

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine (CID 65239417) is 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine is Cc1cc(C(N)Cc2ccccn2)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine?
The InChIKey is PSZQYDCOBAFOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9-7-13(16-10(9)2)12(14)8-11-5-3-4-6-15-11/h3-7,12H,8,14H2,1-2H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine?
1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 65239417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).