ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate

C13H14N2O3S — CID 75366606

IUPACethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Cn2ccc(C)cc2=O)n1
InChIInChI=1S/C13H14N2O3S/c1-3-18-13(17)10-8-19-11(14-10)7-15-5-4-9(2)6-12(15)16/h4-6,8H,3,7H2,1-2H3
InChIKeyRCZJEYPFYATJMM-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.84
Rot. Bonds4

About ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate (PubChem CID 75366606) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate
PubChem CID75366606
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Nameethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Cn2ccc(C)cc2=O)n1
InChIInChI=1S/C13H14N2O3S/c1-3-18-13(17)10-8-19-11(14-10)7-15-5-4-9(2)6-12(15)16/h4-6,8H,3,7H2,1-2H3
InChIKeyRCZJEYPFYATJMM-UHFFFAOYSA-N
XLogP1.84
TPSA61.19 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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate (CID 75366606) is ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Cn2ccc(C)cc2=O)n1.
What is the InChIKey of ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is RCZJEYPFYATJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-18-13(17)10-8-19-11(14-10)7-15-5-4-9(2)6-12(15)16/h4-6,8H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 75366606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).