methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate

C8H6N2O2S — CID 68985089

IUPACmethyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2scnc2c1
InChIInChI=1S/C8H6N2O2S/c1-12-8(11)5-2-6-7(9-3-5)13-4-10-6/h2-4H,1H3
InChIKeyYIMJWMNJTWDJJD-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.48
Rot. Bonds1

About methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate

methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 68985089) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate
PubChem CID68985089
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Namemethyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2scnc2c1
InChIInChI=1S/C8H6N2O2S/c1-12-8(11)5-2-6-7(9-3-5)13-4-10-6/h2-4H,1H3
InChIKeyYIMJWMNJTWDJJD-UHFFFAOYSA-N
XLogP1.48
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate (CID 68985089) is methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cnc2scnc2c1.
What is the InChIKey of methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is YIMJWMNJTWDJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c1-12-8(11)5-2-6-7(9-3-5)13-4-10-6/h2-4H,1H3.
What are the key properties of methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate?
methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 194.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 68985089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).