2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine

C9H10IN3S — CID 130576033

IUPAC2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine
SMILESNC(Cc1ncc[nH]1)c1sccc1I
InChIInChI=1S/C9H10IN3S/c10-6-1-4-14-9(6)7(11)5-8-12-2-3-13-8/h1-4,7H,5,11H2,(H,12,13)
InChIKeyUGOWSUXGSYNVLE-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.32
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine

2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine (PubChem CID 130576033) has the molecular formula C9H10IN3S and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine
PubChem CID130576033
Molecular FormulaC9H10IN3S
Molecular Weight319.17 g/mol
Exact Mass318.96
IUPAC Name2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine
SMILESNC(Cc1ncc[nH]1)c1sccc1I
InChIInChI=1S/C9H10IN3S/c10-6-1-4-14-9(6)7(11)5-8-12-2-3-13-8/h1-4,7H,5,11H2,(H,12,13)
InChIKeyUGOWSUXGSYNVLE-UHFFFAOYSA-N
XLogP2.32
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine (CID 130576033) is 2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine is NC(Cc1ncc[nH]1)c1sccc1I.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine?
The InChIKey is UGOWSUXGSYNVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3S/c10-6-1-4-14-9(6)7(11)5-8-12-2-3-13-8/h1-4,7H,5,11H2,(H,12,13).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine?
2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine has a molecular weight of 319.17 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(3-iodothiophen-2-yl)ethanamine is sourced from PubChem (CID 130576033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).