1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol

C13H15NOS — CID 114910603

IUPAC1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(C)s2)cn1
InChIInChI=1S/C13H15NOS/c1-9-4-6-11(8-14-9)13(3,15)12-7-5-10(2)16-12/h4-8,15H,1-3H3
InChIKeyGLEKGRDYYWUPFO-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.02
Rot. Bonds2

About 1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol

1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol (PubChem CID 114910603) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol
PubChem CID114910603
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(C)s2)cn1
InChIInChI=1S/C13H15NOS/c1-9-4-6-11(8-14-9)13(3,15)12-7-5-10(2)16-12/h4-8,15H,1-3H3
InChIKeyGLEKGRDYYWUPFO-UHFFFAOYSA-N
XLogP3.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol (CID 114910603) is 1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol is Cc1ccc(C(C)(O)c2ccc(C)s2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol?
The InChIKey is GLEKGRDYYWUPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-4-6-11(8-14-9)13(3,15)12-7-5-10(2)16-12/h4-8,15H,1-3H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol?
1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol has a molecular weight of 233.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 114910603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).