2-[3-(thian-4-yl)imidazol-4-yl]ethanamine

C10H17N3S — CID 84734602

IUPAC2-[3-(thian-4-yl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1C1CCSCC1
InChIInChI=1S/C10H17N3S/c11-4-1-10-7-12-8-13(10)9-2-5-14-6-3-9/h7-9H,1-6,11H2
InChIKeyLQZNUHHVQVFVTQ-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.45
Rot. Bonds3

About 2-[3-(thian-4-yl)imidazol-4-yl]ethanamine

2-[3-(thian-4-yl)imidazol-4-yl]ethanamine (PubChem CID 84734602) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-[3-(thian-4-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(thian-4-yl)imidazol-4-yl]ethanamine
PubChem CID84734602
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-[3-(thian-4-yl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1C1CCSCC1
InChIInChI=1S/C10H17N3S/c11-4-1-10-7-12-8-13(10)9-2-5-14-6-3-9/h7-9H,1-6,11H2
InChIKeyLQZNUHHVQVFVTQ-UHFFFAOYSA-N
XLogP1.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclobutylimidazol-4-yl)ethanamine
CID 83873401
2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
3-(3-cyclohexylimidazol-4-yl)propan-1-amine
CID 83883482
2-[3-(3-methylcyclopentyl)imidazol-4-yl]ethanamine
CID 114722524
2-(3-piperidin-3-ylimidazol-4-yl)ethanamine
CID 84733201
2-[3-(1,1-dioxothian-3-yl)imidazol-4-yl]ethanamine
CID 114720388
[3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride
CID 131637564
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295493
2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine
CID 114722738
N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine
CID 66140393
2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine
CID 84733495
N-[(3-cyclopropylimidazol-4-yl)methyl]cyclopentanamine
CID 66163863

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thian-4-yl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(thian-4-yl)imidazol-4-yl]ethanamine (CID 84734602) is 2-[3-(thian-4-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(thian-4-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(thian-4-yl)imidazol-4-yl]ethanamine is NCCc1cncn1C1CCSCC1.
What is the InChIKey of 2-[3-(thian-4-yl)imidazol-4-yl]ethanamine?
The InChIKey is LQZNUHHVQVFVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c11-4-1-10-7-12-8-13(10)9-2-5-14-6-3-9/h7-9H,1-6,11H2.
What are the key properties of 2-[3-(thian-4-yl)imidazol-4-yl]ethanamine?
2-[3-(thian-4-yl)imidazol-4-yl]ethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thian-4-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 84734602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).