methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate

C9H8N2O2S — CID 79475050

IUPACmethyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate
SMILESCOC(=O)Cc1nc2cnccc2s1
InChIInChI=1S/C9H8N2O2S/c1-13-9(12)4-8-11-6-5-10-3-2-7(6)14-8/h2-3,5H,4H2,1H3
InChIKeyKOSIDCYEHYGUMB-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.41
Rot. Bonds2

About methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate

methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate (PubChem CID 79475050) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate
PubChem CID79475050
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Namemethyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate
SMILESCOC(=O)Cc1nc2cnccc2s1
InChIInChI=1S/C9H8N2O2S/c1-13-9(12)4-8-11-6-5-10-3-2-7(6)14-8/h2-3,5H,4H2,1H3
InChIKeyKOSIDCYEHYGUMB-UHFFFAOYSA-N
XLogP1.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate?
The IUPAC name of methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate (CID 79475050) is methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate.
What is the SMILES notation for methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate?
The canonical SMILES for methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate is COC(=O)Cc1nc2cnccc2s1.
What is the InChIKey of methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate?
The InChIKey is KOSIDCYEHYGUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-13-9(12)4-8-11-6-5-10-3-2-7(6)14-8/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate?
methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate has a molecular weight of 208.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)acetate is sourced from PubChem (CID 79475050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).