N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine

C13H17N3S — CID 115860541

IUPACN-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1sccc1CC
InChIInChI=1S/C13H17N3S/c1-3-10-5-8-17-13(10)12(15-4-2)11-9-14-6-7-16-11/h5-9,12,15H,3-4H2,1-2H3
InChIKeyKAWQUTPYYWXWPP-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.80
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine

N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 115860541) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID115860541
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1sccc1CC
InChIInChI=1S/C13H17N3S/c1-3-10-5-8-17-13(10)12(15-4-2)11-9-14-6-7-16-11/h5-9,12,15H,3-4H2,1-2H3
InChIKeyKAWQUTPYYWXWPP-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethylthiophen-2-yl)-pyrazin-2-ylmethanol
CID 115800270
N-[(4-tert-butylthiadiazol-5-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149972
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
N-ethyl-1-(3-ethylthiophen-2-yl)propan-1-amine
CID 114979794
N-[(3-ethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 79986033
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-[(3,5-dimethylthiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 81156291
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
[(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335326
N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 63974892
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000
N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105150068

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine (CID 115860541) is N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1sccc1CC.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is KAWQUTPYYWXWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-10-5-8-17-13(10)12(15-4-2)11-9-14-6-7-16-11/h5-9,12,15H,3-4H2,1-2H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine?
N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 115860541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).