(6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate

C13H14N2O3S — CID 71969748

IUPAC(6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOc1cccc(COC(=O)c2scnc2C)n1
InChIInChI=1S/C13H14N2O3S/c1-3-17-11-6-4-5-10(15-11)7-18-13(16)12-9(2)14-8-19-12/h4-6,8H,3,7H2,1-2H3
InChIKeyNVWXXQXPMWJAHH-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.60
Rot. Bonds5

About (6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate

(6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 71969748) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is (6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate
PubChem CID71969748
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name(6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOc1cccc(COC(=O)c2scnc2C)n1
InChIInChI=1S/C13H14N2O3S/c1-3-17-11-6-4-5-10(15-11)7-18-13(16)12-9(2)14-8-19-12/h4-6,8H,3,7H2,1-2H3
InChIKeyNVWXXQXPMWJAHH-UHFFFAOYSA-N
XLogP2.60
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate (CID 71969748) is (6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate is CCOc1cccc(COC(=O)c2scnc2C)n1.
What is the InChIKey of (6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is NVWXXQXPMWJAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-17-11-6-4-5-10(15-11)7-18-13(16)12-9(2)14-8-19-12/h4-6,8H,3,7H2,1-2H3.
What are the key properties of (6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate?
(6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-2-pyridinyl)methyl 4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71969748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).