ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate

C14H15N3O5S — CID 167991197

IUPACethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(/C=C/c2cn(C)c(=O)n(C)c2=O)nc1O
InChIInChI=1S/C14H15N3O5S/c1-4-22-13(20)10-11(18)15-9(23-10)6-5-8-7-16(2)14(21)17(3)12(8)19/h5-7,18H,4H2,1-3H3/b6-5+
InChIKeyICYIHISGKRBHKL-AATRIKPKSA-N
MW337.36 g/mol
LogP0.59
Rot. Bonds4

About ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate

ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate (PubChem CID 167991197) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate
PubChem CID167991197
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Nameethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(/C=C/c2cn(C)c(=O)n(C)c2=O)nc1O
InChIInChI=1S/C14H15N3O5S/c1-4-22-13(20)10-11(18)15-9(23-10)6-5-8-7-16(2)14(21)17(3)12(8)19/h5-7,18H,4H2,1-3H3/b6-5+
InChIKeyICYIHISGKRBHKL-AATRIKPKSA-N
XLogP0.59
TPSA103.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate (CID 167991197) is ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(/C=C/c2cn(C)c(=O)n(C)c2=O)nc1O.
What is the InChIKey of ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate?
The InChIKey is ICYIHISGKRBHKL-AATRIKPKSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-4-22-13(20)10-11(18)15-9(23-10)6-5-8-7-16(2)14(21)17(3)12(8)19/h5-7,18H,4H2,1-3H3/b6-5+.
What are the key properties of ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate?
ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate has a molecular weight of 337.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-4-hydroxy-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 167991197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).