1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate

C14H16N2O3S — CID 91652903

IUPAC1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate
SMILESCCOc1nc(C)ccc1C(=O)OC(C)c1nccs1
InChIInChI=1S/C14H16N2O3S/c1-4-18-12-11(6-5-9(2)16-12)14(17)19-10(3)13-15-7-8-20-13/h5-8,10H,4H2,1-3H3
InChIKeySYXIQVMCTVIQFL-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.16
Rot. Bonds5

About 1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate

1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate (PubChem CID 91652903) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate
PubChem CID91652903
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate
SMILESCCOc1nc(C)ccc1C(=O)OC(C)c1nccs1
InChIInChI=1S/C14H16N2O3S/c1-4-18-12-11(6-5-9(2)16-12)14(17)19-10(3)13-15-7-8-20-13/h5-8,10H,4H2,1-3H3
InChIKeySYXIQVMCTVIQFL-UHFFFAOYSA-N
XLogP3.16
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-Oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate
CID 2336418
[2-[2-(2-Methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-ethoxypyridine-3-carboxylate
CID 2649061
[2-(2-Methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
CID 41986833
(6-Ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate
CID 71969748
(2-Ethoxy-3-pyridinyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72124239
1,3-Benzothiazol-2-ylmethyl 2-ethoxypyridine-3-carboxylate
CID 3290969
[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl] pyridine-3-carboxylate
CID 99856884
5-Fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]pyridine-3-carboxylic acid
CID 91664498
5-Fluoro-2-(1,3-thiazol-4-ylmethoxy)pyridine-3-carboxylic acid
CID 91664627
5-Fluoro-2-(1,3-thiazol-2-ylmethoxy)pyridine-3-carboxylic acid
CID 91664628
2-Methoxypyridine-3-carboxylic acid;2-(trifluoromethyl)-1,3-thiazole
CID 160968455
[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 6-methoxypyridine-3-carboxylate
CID 16570974

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate?
The IUPAC name of 1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate (CID 91652903) is 1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate?
The canonical SMILES for 1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate is CCOc1nc(C)ccc1C(=O)OC(C)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate?
The InChIKey is SYXIQVMCTVIQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-4-18-12-11(6-5-9(2)16-12)14(17)19-10(3)13-15-7-8-20-13/h5-8,10H,4H2,1-3H3.
What are the key properties of 1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate?
1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)ethyl 2-ethoxy-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 91652903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).