1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol

C15H14N2OS — CID 114910885

IUPAC1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol
SMILESCC(O)(c1cc2ccccc2s1)c1cnccc1N
InChIInChI=1S/C15H14N2OS/c1-15(18,11-9-17-7-6-12(11)16)14-8-10-4-2-3-5-13(10)19-14/h2-9,18H,1H3,(H2,16,17)
InChIKeyXNUWBKDSCUKXDD-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol

1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol (PubChem CID 114910885) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol
PubChem CID114910885
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol
SMILESCC(O)(c1cc2ccccc2s1)c1cnccc1N
InChIInChI=1S/C15H14N2OS/c1-15(18,11-9-17-7-6-12(11)16)14-8-10-4-2-3-5-13(10)19-14/h2-9,18H,1H3,(H2,16,17)
InChIKeyXNUWBKDSCUKXDD-UHFFFAOYSA-N
XLogP3.13
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol (CID 114910885) is 1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol is CC(O)(c1cc2ccccc2s1)c1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol?
The InChIKey is XNUWBKDSCUKXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-15(18,11-9-17-7-6-12(11)16)14-8-10-4-2-3-5-13(10)19-14/h2-9,18H,1H3,(H2,16,17).
What are the key properties of 1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol?
1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol has a molecular weight of 270.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-1-(1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 114910885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).