ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate

C17H16N2O3S — CID 53375491

IUPACethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3c(c2)sc(=O)n3C)nc1C
InChIInChI=1S/C17H16N2O3S/c1-4-22-16(20)12-6-7-13(18-10(12)2)11-5-8-14-15(9-11)23-17(21)19(14)3/h5-9H,4H2,1-3H3
InChIKeyFKPFKJRGPCZQCQ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.15
Rot. Bonds3

About ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate

ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate (PubChem CID 53375491) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate
PubChem CID53375491
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Nameethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3c(c2)sc(=O)n3C)nc1C
InChIInChI=1S/C17H16N2O3S/c1-4-22-16(20)12-6-7-13(18-10(12)2)11-5-8-14-15(9-11)23-17(21)19(14)3/h5-9H,4H2,1-3H3
InChIKeyFKPFKJRGPCZQCQ-UHFFFAOYSA-N
XLogP3.15
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate (CID 53375491) is ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2ccc3c(c2)sc(=O)n3C)nc1C.
What is the InChIKey of ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate?
The InChIKey is FKPFKJRGPCZQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-4-22-16(20)12-6-7-13(18-10(12)2)11-5-8-14-15(9-11)23-17(21)19(14)3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate?
ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate has a molecular weight of 328.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)pyridine-3-carboxylate is sourced from PubChem (CID 53375491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).