2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine

C13H16N2S — CID 102824819

IUPAC2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(-c2csc(C)c2)c1
InChIInChI=1S/C13H16N2S/c1-3-5-14-12-4-6-15-13(8-12)11-7-10(2)16-9-11/h4,6-9H,3,5H2,1-2H3,(H,14,15)
InChIKeyXQUIGALUUVRSQN-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.94
Rot. Bonds4

About 2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine

2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine (PubChem CID 102824819) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine
PubChem CID102824819
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(-c2csc(C)c2)c1
InChIInChI=1S/C13H16N2S/c1-3-5-14-12-4-6-15-13(8-12)11-7-10(2)16-9-11/h4,6-9H,3,5H2,1-2H3,(H,14,15)
InChIKeyXQUIGALUUVRSQN-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine?
The IUPAC name of 2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine (CID 102824819) is 2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine.
What is the SMILES notation for 2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine?
The canonical SMILES for 2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine is CCCNc1ccnc(-c2csc(C)c2)c1.
What is the InChIKey of 2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine?
The InChIKey is XQUIGALUUVRSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-5-14-12-4-6-15-13(8-12)11-7-10(2)16-9-11/h4,6-9H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine?
2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine has a molecular weight of 232.35 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-3-yl)-N-propylpyridin-4-amine is sourced from PubChem (CID 102824819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).