ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate

C8H10ClNO2S — CID 13282757

IUPACethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1CC
InChIInChI=1S/C8H10ClNO2S/c1-3-5-6(7(11)12-4-2)13-8(9)10-5/h3-4H2,1-2H3
InChIKeyIAGBZZFDFVQNHL-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.54
Rot. Bonds3

About ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate

ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 13282757) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID13282757
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Nameethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1CC
InChIInChI=1S/C8H10ClNO2S/c1-3-5-6(7(11)12-4-2)13-8(9)10-5/h3-4H2,1-2H3
InChIKeyIAGBZZFDFVQNHL-UHFFFAOYSA-N
XLogP2.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-chloro-4-ethyl-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate (CID 13282757) is ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cl)nc1CC.
What is the InChIKey of ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is IAGBZZFDFVQNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-3-5-6(7(11)12-4-2)13-8(9)10-5/h3-4H2,1-2H3.
What are the key properties of ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate?
ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 219.69 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 13282757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).