prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate

C15H13NO3S — CID 165153458

IUPACprop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESC#CCOC(=O)c1csc(-c2ccc(OCC)cc2)n1
InChIInChI=1S/C15H13NO3S/c1-3-9-19-15(17)13-10-20-14(16-13)11-5-7-12(8-6-11)18-4-2/h1,5-8,10H,4,9H2,2H3
InChIKeyGDOJPLHZTPRSNX-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.00
Rot. Bonds5

About prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate

prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 165153458) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameprop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID165153458
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Nameprop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESC#CCOC(=O)c1csc(-c2ccc(OCC)cc2)n1
InChIInChI=1S/C15H13NO3S/c1-3-9-19-15(17)13-10-20-14(16-13)11-5-7-12(8-6-11)18-4-2/h1,5-8,10H,4,9H2,2H3
InChIKeyGDOJPLHZTPRSNX-UHFFFAOYSA-N
XLogP3.00
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate 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

prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
thiophen-3-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594299
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824580
2-thiophen-2-ylethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153483
(5-fluoro-3-pyridinyl)methyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 167973884
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46640740
ethyl 2-(4-hexoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594268
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9136069
(Z)-3-amino-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]but-2-enenitrile
CID 24573384
2-ethoxyethyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 86914535
(2-ethoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135787

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate (CID 165153458) is prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate is C#CCOC(=O)c1csc(-c2ccc(OCC)cc2)n1.
What is the InChIKey of prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is GDOJPLHZTPRSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-3-9-19-15(17)13-10-20-14(16-13)11-5-7-12(8-6-11)18-4-2/h1,5-8,10H,4,9H2,2H3.
What are the key properties of prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate?
prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 287.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 165153458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).