1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine

C14H19N3OS — CID 105178716

IUPAC1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1nccnc1OC
InChIInChI=1S/C14H19N3OS/c1-15-12(7-3-5-11-6-4-10-19-11)13-14(18-2)17-9-8-16-13/h4,6,8-10,12,15H,3,5,7H2,1-2H3
InChIKeyMXYLLXAKSDKQQE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.83
Rot. Bonds7

About 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine

1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105178716) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105178716
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1nccnc1OC
InChIInChI=1S/C14H19N3OS/c1-15-12(7-3-5-11-6-4-10-19-11)13-14(18-2)17-9-8-16-13/h4,6,8-10,12,15H,3,5,7H2,1-2H3
InChIKeyMXYLLXAKSDKQQE-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

Analyze 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178278
1-(3-methoxypyrazin-2-yl)-N-methylpentan-1-amine
CID 104515877
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382
1-(3-methoxypyrazin-2-yl)-N-methyldecan-1-amine
CID 105032040
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
N-methyl-1-(3-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 55236710
1-(3-methoxypyrazin-2-yl)-N-methyl-3-phenoxypropan-1-amine
CID 104515253
1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 104515370
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 103397395

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105178716) is 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)c1nccnc1OC.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is MXYLLXAKSDKQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-15-12(7-3-5-11-6-4-10-19-11)13-14(18-2)17-9-8-16-13/h4,6,8-10,12,15H,3,5,7H2,1-2H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-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 1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105178716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).