ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate

C15H12N2O3S — CID 10017665

IUPACethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2sc3ncccc3c2=O)cc1
InChIInChI=1S/C15H12N2O3S/c1-2-20-15(19)10-5-7-11(8-6-10)17-14(18)12-4-3-9-16-13(12)21-17/h3-9H,2H2,1H3
InChIKeyNMEUEJLABIVOAB-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.62
Rot. Bonds3

About ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate

ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate (PubChem CID 10017665) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
PubChem CID10017665
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Nameethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
SMILESCCOC(=O)c1ccc(-n2sc3ncccc3c2=O)cc1
InChIInChI=1S/C15H12N2O3S/c1-2-20-15(19)10-5-7-11(8-6-10)17-14(18)12-4-3-9-16-13(12)21-17/h3-9H,2H2,1H3
InChIKeyNMEUEJLABIVOAB-UHFFFAOYSA-N
XLogP2.62
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate?
The IUPAC name of ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate (CID 10017665) is ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate.
What is the SMILES notation for ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate?
The canonical SMILES for ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate is CCOC(=O)c1ccc(-n2sc3ncccc3c2=O)cc1.
What is the InChIKey of ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate?
The InChIKey is NMEUEJLABIVOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-2-20-15(19)10-5-7-11(8-6-10)17-14(18)12-4-3-9-16-13(12)21-17/h3-9H,2H2,1H3.
What are the key properties of ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate?
ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate has a molecular weight of 300.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate is sourced from PubChem (CID 10017665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).