N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

C14H19N3OS — CID 105178677

IUPACN-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1nccnc1OC
InChIInChI=1S/C14H19N3OS/c1-3-5-15-12(9-11-4-8-19-10-11)13-14(18-2)17-7-6-16-13/h4,6-8,10,12,15H,3,5,9H2,1-2H3
InChIKeyIUJQODXIAYCUBX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.83
Rot. Bonds7

About N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 105178677) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID105178677
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1nccnc1OC
InChIInChI=1S/C14H19N3OS/c1-3-5-15-12(9-11-4-8-19-10-11)13-14(18-2)17-7-6-16-13/h4,6-8,10,12,15H,3,5,9H2,1-2H3
InChIKeyIUJQODXIAYCUBX-UHFFFAOYSA-N
XLogP2.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethanamine
CID 105178685
N-[1-(3-methoxypyrazin-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 104515448
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 104515498
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661
N-[2-(cyclohexen-1-yl)-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 116662144
N-[1-(2-methoxy-4-methylphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 106792623
2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515324
N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 104515657

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (CID 105178677) is N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1nccnc1OC.
What is the InChIKey of N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is IUJQODXIAYCUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-5-15-12(9-11-4-8-19-10-11)13-14(18-2)17-7-6-16-13/h4,6-8,10,12,15H,3,5,9H2,1-2H3.
What are the key properties of N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 105178677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).