ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C17H16N4O3S — CID 10405971

IUPACethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(-c3ccnc(N)c3)n2)c(=O)[nH]c1C
InChIInChI=1S/C17H16N4O3S/c1-3-24-17(23)11-7-12(15(22)20-9(11)2)13-8-25-16(21-13)10-4-5-19-14(18)6-10/h4-8H,3H2,1-2H3,(H2,18,19)(H,20,22)
InChIKeyVSLRVJBKRNJMHM-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.63
Rot. Bonds4

About ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 10405971) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID10405971
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Nameethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(-c3ccnc(N)c3)n2)c(=O)[nH]c1C
InChIInChI=1S/C17H16N4O3S/c1-3-24-17(23)11-7-12(15(22)20-9(11)2)13-8-25-16(21-13)10-4-5-19-14(18)6-10/h4-8H,3H2,1-2H3,(H2,18,19)(H,20,22)
InChIKeyVSLRVJBKRNJMHM-UHFFFAOYSA-N
XLogP2.63
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 10405971) is ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(-c2csc(-c3ccnc(N)c3)n2)c(=O)[nH]c1C.
What is the InChIKey of ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is VSLRVJBKRNJMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-3-24-17(23)11-7-12(15(22)20-9(11)2)13-8-25-16(21-13)10-4-5-19-14(18)6-10/h4-8H,3H2,1-2H3,(H2,18,19)(H,20,22).
What are the key properties of ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 356.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(2-amino-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10405971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).