methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate

C13H14N2O3S — CID 71909586

IUPACmethyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1OCc1nc(C)c(C)s1
InChIInChI=1S/C13H14N2O3S/c1-8-9(2)19-11(15-8)7-18-10-5-4-6-14-12(10)13(16)17-3/h4-6H,7H2,1-3H3
InChIKeyWLYJURJBDOBPEP-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.52
Rot. Bonds4

About methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate

methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate (PubChem CID 71909586) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate
PubChem CID71909586
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namemethyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1OCc1nc(C)c(C)s1
InChIInChI=1S/C13H14N2O3S/c1-8-9(2)19-11(15-8)7-18-10-5-4-6-14-12(10)13(16)17-3/h4-6H,7H2,1-3H3
InChIKeyWLYJURJBDOBPEP-UHFFFAOYSA-N
XLogP2.52
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid
CID 82827217
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-6-nitrobenzoic acid
CID 107341162
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
2-[(2-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53263581
1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
CID 113265047
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methoxybenzenesulfonamide
CID 154789050
2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-4,5-dimethyl-1,3-thiazole
CID 113276966
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-methylbenzenesulfonyl chloride
CID 82915914
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
2-[(2-ethoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980798

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate (CID 71909586) is methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate is COC(=O)c1ncccc1OCc1nc(C)c(C)s1.
What is the InChIKey of methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate?
The InChIKey is WLYJURJBDOBPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-9(2)19-11(15-8)7-18-10-5-4-6-14-12(10)13(16)17-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate?
methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 71909586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).