ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate

C10H9ClN2O2S2 — CID 13287244

IUPACethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2sc(SC)nc2c1Cl
InChIInChI=1S/C10H9ClN2O2S2/c1-3-15-9(14)5-4-12-8-7(6(5)11)13-10(16-2)17-8/h4H,3H2,1-2H3
InChIKeyYRQACKVPKHZOQO-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.24
Rot. Bonds3

About ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate

ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 13287244) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
PubChem CID13287244
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Nameethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2sc(SC)nc2c1Cl
InChIInChI=1S/C10H9ClN2O2S2/c1-3-15-9(14)5-4-12-8-7(6(5)11)13-10(16-2)17-8/h4H,3H2,1-2H3
InChIKeyYRQACKVPKHZOQO-UHFFFAOYSA-N
XLogP3.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-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 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate (CID 13287244) is ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2sc(SC)nc2c1Cl.
What is the InChIKey of ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is YRQACKVPKHZOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c1-3-15-9(14)5-4-12-8-7(6(5)11)13-10(16-2)17-8/h4H,3H2,1-2H3.
What are the key properties of ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 288.78 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-2-methylsulfanyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 13287244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).