methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate

C9H12N2O3S — CID 23053803

IUPACmethyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate
SMILESCOC(=O)N1CCc2snc(OC)c2C1
InChIInChI=1S/C9H12N2O3S/c1-13-8-6-5-11(9(12)14-2)4-3-7(6)15-10-8/h3-5H2,1-2H3
InChIKeyJNEZFBIYSZUUEA-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.28
Rot. Bonds1

About methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate

methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate (PubChem CID 23053803) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate
PubChem CID23053803
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Namemethyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate
SMILESCOC(=O)N1CCc2snc(OC)c2C1
InChIInChI=1S/C9H12N2O3S/c1-13-8-6-5-11(9(12)14-2)4-3-7(6)15-10-8/h3-5H2,1-2H3
InChIKeyJNEZFBIYSZUUEA-UHFFFAOYSA-N
XLogP1.28
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-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 methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate (CID 23053803) is methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate is COC(=O)N1CCc2snc(OC)c2C1.
What is the InChIKey of methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate?
The InChIKey is JNEZFBIYSZUUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-13-8-6-5-11(9(12)14-2)4-3-7(6)15-10-8/h3-5H2,1-2H3.
What are the key properties of methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate?
methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 228.27 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 23053803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).