2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine

C10H13N3S — CID 79982358

IUPAC2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccsc2)cn1
InChIInChI=1S/C10H13N3S/c11-3-1-10-6-13(8-12-10)5-9-2-4-14-7-9/h2,4,6-8H,1,3,5,11H2
InChIKeyUHZJGHYUQWOMII-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.49
Rot. Bonds4

About 2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine

2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 79982358) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID79982358
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ccsc2)cn1
InChIInChI=1S/C10H13N3S/c11-3-1-10-6-13(8-12-10)5-9-2-4-14-7-9/h2,4,6-8H,1,3,5,11H2
InChIKeyUHZJGHYUQWOMII-UHFFFAOYSA-N
XLogP1.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine (CID 79982358) is 2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine is NCCc1cn(Cc2ccsc2)cn1.
What is the InChIKey of 2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is UHZJGHYUQWOMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c11-3-1-10-6-13(8-12-10)5-9-2-4-14-7-9/h2,4,6-8H,1,3,5,11H2.
What are the key properties of 2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine?
2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-3-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 79982358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).