ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate

C15H15NO4S — CID 20855145

IUPACethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)nc1OCC(C)=O
InChIInChI=1S/C15H15NO4S/c1-3-19-15(18)12-13(20-9-10(2)17)16-14(21-12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyCVHOHXJFZGRGBD-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.95
Rot. Bonds6

About ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate

ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 20855145) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID20855145
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Nameethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)nc1OCC(C)=O
InChIInChI=1S/C15H15NO4S/c1-3-19-15(18)12-13(20-9-10(2)17)16-14(21-12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChIKeyCVHOHXJFZGRGBD-UHFFFAOYSA-N
XLogP2.95
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-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

ethyl 4-(bromomethyl)-2-(4-phenylphenyl)-1,3-thiazole-5-carboxylate
CID 143535277
ethyl 2-(2-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 86277528
ethyl 2-(1-oxidopyridin-1-ium-4-yl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 66854770
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366
ethyl 4-(2-ethyl-3-methylbutyl)-2-phenyl-1,3-thiazole-5-carboxylate
CID 91005823
ethyl 2-phenyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate;2-methyl-1,3-dioxolane
CID 90795014
2-phenyl-4-phenylmethoxy-1,3-thiazole-5-carboxylic acid
CID 71610348
ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
CID 13041827
ethyl 5-(2-bromoethyl)-2-phenyl-1,3-thiazole-4-carboxylate
CID 174699502
ethyl 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate
CID 2744330
ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 136661905
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate (CID 20855145) is ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccccc2)nc1OCC(C)=O.
What is the InChIKey of ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is CVHOHXJFZGRGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-19-15(18)12-13(20-9-10(2)17)16-14(21-12)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate?
ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 20855145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).