2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol

C11H15N3OS — CID 61462951

IUPAC2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol
SMILESOC(CNCCn1ccnc1)c1cccs1
InChIInChI=1S/C11H15N3OS/c15-10(11-2-1-7-16-11)8-12-3-5-14-6-4-13-9-14/h1-2,4,6-7,9-10,12,15H,3,5,8H2
InChIKeyVSNXWMDVKYDCBO-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.27
Rot. Bonds6

About 2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol

2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol (PubChem CID 61462951) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol
PubChem CID61462951
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol
SMILESOC(CNCCn1ccnc1)c1cccs1
InChIInChI=1S/C11H15N3OS/c15-10(11-2-1-7-16-11)8-12-3-5-14-6-4-13-9-14/h1-2,4,6-7,9-10,12,15H,3,5,8H2
InChIKeyVSNXWMDVKYDCBO-UHFFFAOYSA-N
XLogP1.27
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol (CID 61462951) is 2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol is OC(CNCCn1ccnc1)c1cccs1.
What is the InChIKey of 2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol?
The InChIKey is VSNXWMDVKYDCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-10(11-2-1-7-16-11)8-12-3-5-14-6-4-13-9-14/h1-2,4,6-7,9-10,12,15H,3,5,8H2.
What are the key properties of 2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol?
2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol has a molecular weight of 237.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethylamino)-1-thiophen-2-ylethanol is sourced from PubChem (CID 61462951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).