N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine

C13H17N3S — CID 113260200

IUPACN-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine
SMILESCCc1ccc(CNC(C)c2cnccn2)s1
InChIInChI=1S/C13H17N3S/c1-3-11-4-5-12(17-11)8-16-10(2)13-9-14-6-7-15-13/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyREGDSMTYRAVQPA-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.95
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine

N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine (PubChem CID 113260200) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine
PubChem CID113260200
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine
SMILESCCc1ccc(CNC(C)c2cnccn2)s1
InChIInChI=1S/C13H17N3S/c1-3-11-4-5-12(17-11)8-16-10(2)13-9-14-6-7-15-13/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyREGDSMTYRAVQPA-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine (CID 113260200) is N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine is CCc1ccc(CNC(C)c2cnccn2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine?
The InChIKey is REGDSMTYRAVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-11-4-5-12(17-11)8-16-10(2)13-9-14-6-7-15-13/h4-7,9-10,16H,3,8H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine?
N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 113260200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).