(E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol

C11H10N2OS — CID 22631137

IUPAC(E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol
SMILESOC/C=C/c1csc(-c2ncccn2)c1
InChIInChI=1S/C11H10N2OS/c14-6-1-3-9-7-10(15-8-9)11-12-4-2-5-13-11/h1-5,7-8,14H,6H2/b3-1+
InChIKeyVKNLWGVTDGPZDE-HNQUOIGGSA-N
MW218.28 g/mol
LogP2.21
Rot. Bonds3

About (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol

(E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol (PubChem CID 22631137) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol
PubChem CID22631137
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name(E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol
SMILESOC/C=C/c1csc(-c2ncccn2)c1
InChIInChI=1S/C11H10N2OS/c14-6-1-3-9-7-10(15-8-9)11-12-4-2-5-13-11/h1-5,7-8,14H,6H2/b3-1+
InChIKeyVKNLWGVTDGPZDE-HNQUOIGGSA-N
XLogP2.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol (CID 22631137) is (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol is OC/C=C/c1csc(-c2ncccn2)c1.
What is the InChIKey of (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol?
The InChIKey is VKNLWGVTDGPZDE-HNQUOIGGSA-N. The full InChI is InChI=1S/C11H10N2OS/c14-6-1-3-9-7-10(15-8-9)11-12-4-2-5-13-11/h1-5,7-8,14H,6H2/b3-1+.
What are the key properties of (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol?
(E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol has a molecular weight of 218.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-pyrimidin-2-ylthiophen-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 22631137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).