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

C6H5Cl2NO2S — CID 15091386

IUPACethyl 2,5-dichloro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)sc1Cl
InChIInChI=1S/C6H5Cl2NO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
InChIKeyRVQIIQNBWNEWKU-UHFFFAOYSA-N
MW226.08 g/mol
LogP2.63
Rot. Bonds2

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

ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate (PubChem CID 15091386) has the molecular formula C6H5Cl2NO2S and a molecular weight of 226.08 g/mol. Its IUPAC name is ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dichloro-1,3-thiazole-4-carboxylate
PubChem CID15091386
Molecular FormulaC6H5Cl2NO2S
Molecular Weight226.08 g/mol
Exact Mass224.94
IUPAC Nameethyl 2,5-dichloro-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(Cl)sc1Cl
InChIInChI=1S/C6H5Cl2NO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3
InChIKeyRVQIIQNBWNEWKU-UHFFFAOYSA-N
XLogP2.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2,5-dichloro-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate (CID 15091386) is ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(Cl)sc1Cl.
What is the InChIKey of ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate?
The InChIKey is RVQIIQNBWNEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3.
What are the key properties of ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate?
ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate has a molecular weight of 226.08 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dichloro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 15091386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).