5-ethyl-3-pyridin-3-ylthiophen-2-amine

C11H12N2S — CID 82366209

IUPAC5-ethyl-3-pyridin-3-ylthiophen-2-amine
SMILESCCc1cc(-c2cccnc2)c(N)s1
InChIInChI=1S/C11H12N2S/c1-2-9-6-10(11(12)14-9)8-4-3-5-13-7-8/h3-7H,2,12H2,1H3
InChIKeyPZIGKDBPRJXFBS-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.95
Rot. Bonds2

About 5-ethyl-3-pyridin-3-ylthiophen-2-amine

5-ethyl-3-pyridin-3-ylthiophen-2-amine (PubChem CID 82366209) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 5-ethyl-3-pyridin-3-ylthiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-pyridin-3-ylthiophen-2-amine
PubChem CID82366209
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name5-ethyl-3-pyridin-3-ylthiophen-2-amine
SMILESCCc1cc(-c2cccnc2)c(N)s1
InChIInChI=1S/C11H12N2S/c1-2-9-6-10(11(12)14-9)8-4-3-5-13-7-8/h3-7H,2,12H2,1H3
InChIKeyPZIGKDBPRJXFBS-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-pyridin-3-ylthiophen-2-amine?
The IUPAC name of 5-ethyl-3-pyridin-3-ylthiophen-2-amine (CID 82366209) is 5-ethyl-3-pyridin-3-ylthiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-pyridin-3-ylthiophen-2-amine?
The canonical SMILES for 5-ethyl-3-pyridin-3-ylthiophen-2-amine is CCc1cc(-c2cccnc2)c(N)s1.
What is the InChIKey of 5-ethyl-3-pyridin-3-ylthiophen-2-amine?
The InChIKey is PZIGKDBPRJXFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-2-9-6-10(11(12)14-9)8-4-3-5-13-7-8/h3-7H,2,12H2,1H3.
What are the key properties of 5-ethyl-3-pyridin-3-ylthiophen-2-amine?
5-ethyl-3-pyridin-3-ylthiophen-2-amine has a molecular weight of 204.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-pyridin-3-ylthiophen-2-amine is sourced from PubChem (CID 82366209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).