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

C10H14N2O3S — CID 23053801

IUPACmethyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate
SMILESCCOc1nsc2c1CN(C(=O)OC)CC2
InChIInChI=1S/C10H14N2O3S/c1-3-15-9-7-6-12(10(13)14-2)5-4-8(7)16-11-9/h3-6H2,1-2H3
InChIKeyFXZFIODKWBPLAC-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.67
Rot. Bonds2

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

methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate (PubChem CID 23053801) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate
PubChem CID23053801
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate
SMILESCCOc1nsc2c1CN(C(=O)OC)CC2
InChIInChI=1S/C10H14N2O3S/c1-3-15-9-7-6-12(10(13)14-2)5-4-8(7)16-11-9/h3-6H2,1-2H3
InChIKeyFXZFIODKWBPLAC-UHFFFAOYSA-N
XLogP1.67
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate (CID 23053801) is methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate is CCOc1nsc2c1CN(C(=O)OC)CC2.
What is the InChIKey of methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate?
The InChIKey is FXZFIODKWBPLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-15-9-7-6-12(10(13)14-2)5-4-8(7)16-11-9/h3-6H2,1-2H3.
What are the key properties of methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate?
methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-6,7-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 23053801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).