Ethyl 5-acetylthiazole-2-carboxylate

C8H9NO3S — CID 126666435

IUPACethyl 5-acetyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C(C)=O)s1
InChIInChI=1S/C8H9NO3S/c1-3-12-8(11)7-9-4-6(13-7)5(2)10/h4H,3H2,1-2H3
InChIKeyXHYSSGXQIHHJAO-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.52
Rot. Bonds3

About Ethyl 5-acetylthiazole-2-carboxylate

Ethyl 5-acetylthiazole-2-carboxylate (PubChem CID 126666435) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is ethyl 5-acetyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound NameEthyl 5-acetylthiazole-2-carboxylate
PubChem CID126666435
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Nameethyl 5-acetyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C(C)=O)s1
InChIInChI=1S/C8H9NO3S/c1-3-12-8(11)7-9-4-6(13-7)5(2)10/h4H,3H2,1-2H3
InChIKeyXHYSSGXQIHHJAO-UHFFFAOYSA-N
XLogP1.52
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze Ethyl 5-acetylthiazole-2-carboxylate 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 Ethyl 5-acetylthiazole-2-carboxylate?
The IUPAC name of Ethyl 5-acetylthiazole-2-carboxylate (CID 126666435) is ethyl 5-acetyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for Ethyl 5-acetylthiazole-2-carboxylate?
The canonical SMILES for Ethyl 5-acetylthiazole-2-carboxylate is CCOC(=O)c1ncc(C(C)=O)s1.
What is the InChIKey of Ethyl 5-acetylthiazole-2-carboxylate?
The InChIKey is XHYSSGXQIHHJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-3-12-8(11)7-9-4-6(13-7)5(2)10/h4H,3H2,1-2H3.
What are the key properties of Ethyl 5-acetylthiazole-2-carboxylate?
Ethyl 5-acetylthiazole-2-carboxylate has a molecular weight of 199.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 5-acetylthiazole-2-carboxylate is sourced from PubChem (CID 126666435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).