N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine

C12H14N2S — CID 79991020

IUPACN-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine
SMILESCCNc1cccc(-c2sccc2C)n1
InChIInChI=1S/C12H14N2S/c1-3-13-11-6-4-5-10(14-11)12-9(2)7-8-15-12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyXGYGGTCFEZPSDI-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.55
Rot. Bonds3

About N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine

N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine (PubChem CID 79991020) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine
PubChem CID79991020
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC NameN-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine
SMILESCCNc1cccc(-c2sccc2C)n1
InChIInChI=1S/C12H14N2S/c1-3-13-11-6-4-5-10(14-11)12-9(2)7-8-15-12/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyXGYGGTCFEZPSDI-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine (CID 79991020) is N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine is CCNc1cccc(-c2sccc2C)n1.
What is the InChIKey of N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine?
The InChIKey is XGYGGTCFEZPSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-3-13-11-6-4-5-10(14-11)12-9(2)7-8-15-12/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine?
N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine has a molecular weight of 218.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methylthiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 79991020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).