2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine

C11H14N4S — CID 80652752

IUPAC2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine
SMILESCCc1ccsc1CNc1cnc(N)cn1
InChIInChI=1S/C11H14N4S/c1-2-8-3-4-16-9(8)5-14-11-7-13-10(12)6-15-11/h3-4,6-7H,2,5H2,1H3,(H2,12,13)(H,14,15)
InChIKeyQHJXGSOWTJLOCP-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.29
Rot. Bonds4

About 2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine

2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine (PubChem CID 80652752) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine
PubChem CID80652752
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine
SMILESCCc1ccsc1CNc1cnc(N)cn1
InChIInChI=1S/C11H14N4S/c1-2-8-3-4-16-9(8)5-14-11-7-13-10(12)6-15-11/h3-4,6-7H,2,5H2,1H3,(H2,12,13)(H,14,15)
InChIKeyQHJXGSOWTJLOCP-UHFFFAOYSA-N
XLogP2.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine?
The IUPAC name of 2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine (CID 80652752) is 2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine is CCc1ccsc1CNc1cnc(N)cn1.
What is the InChIKey of 2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine?
The InChIKey is QHJXGSOWTJLOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-8-3-4-16-9(8)5-14-11-7-13-10(12)6-15-11/h3-4,6-7H,2,5H2,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine?
2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine has a molecular weight of 234.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine is sourced from PubChem (CID 80652752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).