butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate

C12H14N2O3S — CID 173029234

IUPACbutyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate
SMILESCCCCOC(=O)COc1ccnc2scnc12
InChIInChI=1S/C12H14N2O3S/c1-2-3-6-16-10(15)7-17-9-4-5-13-12-11(9)14-8-18-12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNXPOFWOEWUBPMI-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.41
Rot. Bonds6

About butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate

butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate (PubChem CID 173029234) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate.

Molecular Properties

Compound Namebutyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate
PubChem CID173029234
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Namebutyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate
SMILESCCCCOC(=O)COc1ccnc2scnc12
InChIInChI=1S/C12H14N2O3S/c1-2-3-6-16-10(15)7-17-9-4-5-13-12-11(9)14-8-18-12/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNXPOFWOEWUBPMI-UHFFFAOYSA-N
XLogP2.41
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate?
The IUPAC name of butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate (CID 173029234) is butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate.
What is the SMILES notation for butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate?
The canonical SMILES for butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate is CCCCOC(=O)COc1ccnc2scnc12.
What is the InChIKey of butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate?
The InChIKey is NXPOFWOEWUBPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-3-6-16-10(15)7-17-9-4-5-13-12-11(9)14-8-18-12/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate?
butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate has a molecular weight of 266.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-([1,3]thiazolo[5,4-b]pyridin-7-yloxy)acetate is sourced from PubChem (CID 173029234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).