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

C10H8ClN3O2S — CID 59864583

IUPACethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1cnccn1
InChIInChI=1S/C10H8ClN3O2S/c1-2-16-9(15)8-7(14-10(11)17-8)6-5-12-3-4-13-6/h3-5H,2H2,1H3
InChIKeyWKQJWOWSGHWSRU-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.43
Rot. Bonds3

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

ethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 59864583) has the molecular formula C10H8ClN3O2S and a molecular weight of 269.71 g/mol. Its IUPAC name is ethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID59864583
Molecular FormulaC10H8ClN3O2S
Molecular Weight269.71 g/mol
Exact Mass269.00
IUPAC Nameethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Cl)nc1-c1cnccn1
InChIInChI=1S/C10H8ClN3O2S/c1-2-16-9(15)8-7(14-10(11)17-8)6-5-12-3-4-13-6/h3-5H,2H2,1H3
InChIKeyWKQJWOWSGHWSRU-UHFFFAOYSA-N
XLogP2.43
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-chloro-4-pyrazin-2-yl-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-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate (CID 59864583) is ethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Cl)nc1-c1cnccn1.
What is the InChIKey of ethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is WKQJWOWSGHWSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2S/c1-2-16-9(15)8-7(14-10(11)17-8)6-5-12-3-4-13-6/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
ethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 269.71 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59864583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).