1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine

C11H13N3S — CID 62762742

IUPAC1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine
SMILESCc1ccc(CNCc2cnccn2)s1
InChIInChI=1S/C11H13N3S/c1-9-2-3-11(15-9)8-13-7-10-6-12-4-5-14-10/h2-6,13H,7-8H2,1H3
InChIKeyUMOARWIHSUQFLV-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.14
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine

1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine (PubChem CID 62762742) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine
PubChem CID62762742
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine
SMILESCc1ccc(CNCc2cnccn2)s1
InChIInChI=1S/C11H13N3S/c1-9-2-3-11(15-9)8-13-7-10-6-12-4-5-14-10/h2-6,13H,7-8H2,1H3
InChIKeyUMOARWIHSUQFLV-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine (CID 62762742) is 1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine is Cc1ccc(CNCc2cnccn2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine?
The InChIKey is UMOARWIHSUQFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-9-2-3-11(15-9)8-13-7-10-6-12-4-5-14-10/h2-6,13H,7-8H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine?
1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine has a molecular weight of 219.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 62762742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).