ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate

C15H17N3O5S — CID 71707789

IUPACethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2c[nH]c(C)cc2=O)n1
InChIInChI=1S/C15H17N3O5S/c1-3-22-14(21)5-10-8-24-15(17-10)18-13(20)7-23-12-6-16-9(2)4-11(12)19/h4,6,8H,3,5,7H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyNMKWDSYLFZHOAH-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.26
Rot. Bonds7

About ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 71707789) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID71707789
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Nameethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2c[nH]c(C)cc2=O)n1
InChIInChI=1S/C15H17N3O5S/c1-3-22-14(21)5-10-8-24-15(17-10)18-13(20)7-23-12-6-16-9(2)4-11(12)19/h4,6,8H,3,5,7H2,1-2H3,(H,16,19)(H,17,18,20)
InChIKeyNMKWDSYLFZHOAH-UHFFFAOYSA-N
XLogP1.26
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 71707789) is ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2c[nH]c(C)cc2=O)n1.
What is the InChIKey of ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is NMKWDSYLFZHOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-3-22-14(21)5-10-8-24-15(17-10)18-13(20)7-23-12-6-16-9(2)4-11(12)19/h4,6,8H,3,5,7H2,1-2H3,(H,16,19)(H,17,18,20).
What are the key properties of ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 351.38 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 71707789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).