3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide

C11H14N2O3S — CID 62588240

IUPAC3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
SMILESCCOCCC(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C11H14N2O3S/c1-2-16-7-5-10(15)13-11-12-8-9(17-11)4-3-6-14/h8,14H,2,5-7H2,1H3,(H,12,13,15)
InChIKeySPLKLUXKKUVZSD-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.85
Rot. Bonds5

About 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide

3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 62588240) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
PubChem CID62588240
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
SMILESCCOCCC(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C11H14N2O3S/c1-2-16-7-5-10(15)13-11-12-8-9(17-11)4-3-6-14/h8,14H,2,5-7H2,1H3,(H,12,13,15)
InChIKeySPLKLUXKKUVZSD-UHFFFAOYSA-N
XLogP0.85
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide 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 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide (CID 62588240) is 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide is CCOCCC(=O)Nc1ncc(C#CCO)s1.
What is the InChIKey of 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SPLKLUXKKUVZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-16-7-5-10(15)13-11-12-8-9(17-11)4-3-6-14/h8,14H,2,5-7H2,1H3,(H,12,13,15).
What are the key properties of 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 254.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 62588240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).