methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate

C16H11NO4S — CID 102346339

IUPACmethyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(=O)n2ccsc2c1C(=O)c1ccccc1
InChIInChI=1S/C16H11NO4S/c1-21-16(20)11-9-12(18)17-7-8-22-15(17)13(11)14(19)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyMSMRFHWFNJWFRE-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.38
Rot. Bonds3

About methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate

methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate (PubChem CID 102346339) has the molecular formula C16H11NO4S and a molecular weight of 313.33 g/mol. Its IUPAC name is methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate
PubChem CID102346339
Molecular FormulaC16H11NO4S
Molecular Weight313.33 g/mol
Exact Mass313.04
IUPAC Namemethyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(=O)n2ccsc2c1C(=O)c1ccccc1
InChIInChI=1S/C16H11NO4S/c1-21-16(20)11-9-12(18)17-7-8-22-15(17)13(11)14(19)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyMSMRFHWFNJWFRE-UHFFFAOYSA-N
XLogP2.38
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

trimethyl 4-benzoylbenzene-1,2,3-tricarboxylate
CID 139914532
methyl 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoate
CID 7764019
dimethyl 7-methylpyrrolo[2,1-b][1,3]thiazole-5,6-dicarboxylate
CID 14931817
dimethyl (E)-2-(4-methoxycarbonyl-6-oxo-2-phenylpyran-3-yl)-3-[1-(3-methyl-[1,3]thiazolo[3,2-c]triazol-2-ium-2-yl)-2-oxo-2-phenylethyl]but-2-enedioate
CID 135470471
dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate
CID 10733861
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
methyl 2-amino-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate
CID 165394428
methyl 2-chloro-1-methyl-6-oxo-4-(1-phenylethenyl)pyridine-3-carboxylate
CID 165386452
methyl 4-benzoyl-3-hydroxybenzoate
CID 132545644
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
CID 19353618

Frequently Asked Questions

What is the IUPAC name of methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate (CID 102346339) is methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate is COC(=O)c1cc(=O)n2ccsc2c1C(=O)c1ccccc1.
What is the InChIKey of methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate?
The InChIKey is MSMRFHWFNJWFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4S/c1-21-16(20)11-9-12(18)17-7-8-22-15(17)13(11)14(19)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate?
methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 102346339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).