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

C14H10N2O3S — CID 10016832

IUPACmethyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-n1sc2ncccc2c1=O
InChIInChI=1S/C14H10N2O3S/c1-19-14(18)9-5-2-3-7-11(9)16-13(17)10-6-4-8-15-12(10)20-16/h2-8H,1H3
InChIKeyFLVGZHXMUUQYFZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.23
Rot. Bonds2

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

methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate (PubChem CID 10016832) has the molecular formula C14H10N2O3S and a molecular weight of 286.31 g/mol. Its IUPAC name is methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
PubChem CID10016832
Molecular FormulaC14H10N2O3S
Molecular Weight286.31 g/mol
Exact Mass286.04
IUPAC Namemethyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
SMILESCOC(=O)c1ccccc1-n1sc2ncccc2c1=O
InChIInChI=1S/C14H10N2O3S/c1-19-14(18)9-5-2-3-7-11(9)16-13(17)10-6-4-8-15-12(10)20-16/h2-8H,1H3
InChIKeyFLVGZHXMUUQYFZ-UHFFFAOYSA-N
XLogP2.23
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 11778852
ethyl 4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
CID 10017665
methyl 2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 67862933
ethyl N-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)phenyl]carbamate
CID 10335843
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
methyl 2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)pyridine-3-carboxylate
CID 6619173
methyl 2-(4-aminopyrazol-1-yl)benzoate
CID 131512401
2-[2,6-di(propan-2-yl)phenyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 10448241
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate?
The IUPAC name of methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate (CID 10016832) is methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate.
What is the SMILES notation for methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate?
The canonical SMILES for methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate is COC(=O)c1ccccc1-n1sc2ncccc2c1=O.
What is the InChIKey of methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate?
The InChIKey is FLVGZHXMUUQYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S/c1-19-14(18)9-5-2-3-7-11(9)16-13(17)10-6-4-8-15-12(10)20-16/h2-8H,1H3.
What are the key properties of methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate?
methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate has a molecular weight of 286.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate is sourced from PubChem (CID 10016832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).