methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate

C12H12N2O4S — CID 54270021

IUPACmethyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(OC)c(-c2cscn2)n1
InChIInChI=1S/C12H12N2O4S/c1-16-9-4-7(12(15)18-3)14-10(11(9)17-2)8-5-19-6-13-8/h4-6H,1-3H3
InChIKeyRJLXFRBASVXZBI-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.01
Rot. Bonds4

About methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate

methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate (PubChem CID 54270021) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate
PubChem CID54270021
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Namemethyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(OC)c(-c2cscn2)n1
InChIInChI=1S/C12H12N2O4S/c1-16-9-4-7(12(15)18-3)14-10(11(9)17-2)8-5-19-6-13-8/h4-6H,1-3H3
InChIKeyRJLXFRBASVXZBI-UHFFFAOYSA-N
XLogP2.01
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
4-(3,4,5-trimethoxyphenyl)-1,3-thiazole
CID 4262449
methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate
CID 70055022
methyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134679723
4-(2,3,4-trimethoxyphenyl)-1,3-thiazole
CID 5239941
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
4-methoxy-3-(1,3-thiazol-4-yl)benzoic acid
CID 97033863
methyl 5-(1,3-thiazol-4-yl)furan-2-carboxylate
CID 97034345
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
CID 134859415
methyl 5,7-dimethoxy-1-(8-methoxy-1,6,7-trimethylisoquinolin-3-yl)-6-methylisoquinoline-3-carboxylate
CID 137496314
methyl 6,8-dibromo-4-ethoxy-5-methoxyquinoline-2-carboxylate
CID 103416918

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate (CID 54270021) is methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate is COC(=O)c1cc(OC)c(OC)c(-c2cscn2)n1.
What is the InChIKey of methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate?
The InChIKey is RJLXFRBASVXZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-16-9-4-7(12(15)18-3)14-10(11(9)17-2)8-5-19-6-13-8/h4-6H,1-3H3.
What are the key properties of methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate?
methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate has a molecular weight of 280.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 54270021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).