2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol

C12H14N2O2S — CID 75388353

IUPAC2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol
SMILESOCCOc1ccc(NCc2ccsc2)cn1
InChIInChI=1S/C12H14N2O2S/c15-4-5-16-12-2-1-11(8-14-12)13-7-10-3-6-17-9-10/h1-3,6,8-9,13,15H,4-5,7H2
InChIKeyAJZHGUDKGXDSNR-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.13
Rot. Bonds6

About 2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol

2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol (PubChem CID 75388353) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol
PubChem CID75388353
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol
SMILESOCCOc1ccc(NCc2ccsc2)cn1
InChIInChI=1S/C12H14N2O2S/c15-4-5-16-12-2-1-11(8-14-12)13-7-10-3-6-17-9-10/h1-3,6,8-9,13,15H,4-5,7H2
InChIKeyAJZHGUDKGXDSNR-UHFFFAOYSA-N
XLogP2.13
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol (CID 75388353) is 2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol is OCCOc1ccc(NCc2ccsc2)cn1.
What is the InChIKey of 2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol?
The InChIKey is AJZHGUDKGXDSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-4-5-16-12-2-1-11(8-14-12)13-7-10-3-6-17-9-10/h1-3,6,8-9,13,15H,4-5,7H2.
What are the key properties of 2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol?
2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol has a molecular weight of 250.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(thiophen-3-ylmethylamino)-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 75388353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).