3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid

C14H13NO3S — CID 79800765

IUPAC3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(OCCc2ccsc2)cn1
InChIInChI=1S/C14H13NO3S/c16-14(17)4-2-12-1-3-13(9-15-12)18-7-5-11-6-8-19-10-11/h1-4,6,8-10H,5,7H2,(H,16,17)
InChIKeyVOWZASVZEOAQDP-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.86
Rot. Bonds6

About 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid

3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid (PubChem CID 79800765) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid
PubChem CID79800765
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(OCCc2ccsc2)cn1
InChIInChI=1S/C14H13NO3S/c16-14(17)4-2-12-1-3-13(9-15-12)18-7-5-11-6-8-19-10-11/h1-4,6,8-10H,5,7H2,(H,16,17)
InChIKeyVOWZASVZEOAQDP-UHFFFAOYSA-N
XLogP2.86
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 129315372
3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 79800407
3-[4-methoxy-2-(2-thiophen-3-ylethoxy)phenyl]prop-2-enoic acid
CID 77016425
(E)-3-[3,5-dibromo-4-(2-thiophen-3-ylethoxy)phenyl]prop-2-enoic acid
CID 107739217
3-[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]prop-2-enoic acid
CID 79800410
3-[5-[4-(methylamino)-4-oxobutoxy]-2-pyridinyl]prop-2-enoic acid
CID 79799581
3-[5-(2-butoxyethoxy)-2-pyridinyl]prop-2-enoic acid
CID 79800497
(E)-3-[5-(1,3-thiazol-5-ylmethoxy)-2-pyridinyl]prop-2-enoic acid
CID 112641188
3-[5-[(5-bromothiophen-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 79799402
3-[5-(3-methylbut-2-enoxy)-2-pyridinyl]prop-2-enoic acid
CID 79800498
3-[5-[3-oxo-3-(propan-2-ylamino)propoxy]-2-pyridinyl]prop-2-enoic acid
CID 79799484
3-[5-[2-oxo-2-(propylamino)ethoxy]-2-pyridinyl]prop-2-enoic acid
CID 79799965

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid (CID 79800765) is 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid is O=C(O)C=Cc1ccc(OCCc2ccsc2)cn1.
What is the InChIKey of 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid?
The InChIKey is VOWZASVZEOAQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c16-14(17)4-2-12-1-3-13(9-15-12)18-7-5-11-6-8-19-10-11/h1-4,6,8-10H,5,7H2,(H,16,17).
What are the key properties of 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid?
3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid has a molecular weight of 275.33 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 79800765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).