methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate

C16H13NO3S — CID 134229037

IUPACmethyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc2scc(C)n2c(=O)c1-c1ccccc1
InChIInChI=1S/C16H13NO3S/c1-10-9-21-13-8-12(16(19)20-2)14(15(18)17(10)13)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyLOBHAQAORLUEII-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.12
Rot. Bonds2

About methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate

methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate (PubChem CID 134229037) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate
PubChem CID134229037
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Namemethyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1cc2scc(C)n2c(=O)c1-c1ccccc1
InChIInChI=1S/C16H13NO3S/c1-10-9-21-13-8-12(16(19)20-2)14(15(18)17(10)13)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyLOBHAQAORLUEII-UHFFFAOYSA-N
XLogP3.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-acetyl-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 167431862
methyl 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 75412267
2-amino-4-methyl-6-[1-(3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethylamino]pyrimidine-5-carbonitrile
CID 121314395
methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate
CID 10935568
methyl 5-methyl-4-phenylpyridine-3-carboxylate
CID 10878891
7-[1-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 167431856
methyl 2-amino-3-phenylpyridine-4-carboxylate
CID 133098297
6-O-ethyl 7-O-methyl 2-oxo-3,4-diphenylchromene-6,7-dicarboxylate
CID 134912171
methyl 3-nitro-5,6,7,8-tetraphenylnaphthalene-2-carboxylate
CID 135024818
methyl 4,5,6,7-tetraphenyl-1-benzofuran-2-carboxylate
CID 162398645
methyl 4-ethyl-5-phenylthiophene-3-carboxylate
CID 114748225
methyl 2-methyl-4-phenylthiophene-3-carboxylate
CID 162514563

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate (CID 134229037) is methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate is COC(=O)c1cc2scc(C)n2c(=O)c1-c1ccccc1.
What is the InChIKey of methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate?
The InChIKey is LOBHAQAORLUEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-10-9-21-13-8-12(16(19)20-2)14(15(18)17(10)13)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate?
methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-oxo-6-phenyl-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 134229037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).