ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate

C15H14N2O4S — CID 154793634

IUPACethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Oc2ccc3c(c2)CN(C)C3=O)s1
InChIInChI=1S/C15H14N2O4S/c1-3-20-14(19)12-7-16-15(22-12)21-10-4-5-11-9(6-10)8-17(2)13(11)18/h4-7H,3,8H2,1-2H3
InChIKeyJYEWEGYAXICRCE-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.70
Rot. Bonds4

About ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate

ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate (PubChem CID 154793634) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate
PubChem CID154793634
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Nameethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Oc2ccc3c(c2)CN(C)C3=O)s1
InChIInChI=1S/C15H14N2O4S/c1-3-20-14(19)12-7-16-15(22-12)21-10-4-5-11-9(6-10)8-17(2)13(11)18/h4-7H,3,8H2,1-2H3
InChIKeyJYEWEGYAXICRCE-UHFFFAOYSA-N
XLogP2.70
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate (CID 154793634) is ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(Oc2ccc3c(c2)CN(C)C3=O)s1.
What is the InChIKey of ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate?
The InChIKey is JYEWEGYAXICRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-3-20-14(19)12-7-16-15(22-12)21-10-4-5-11-9(6-10)8-17(2)13(11)18/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate has a molecular weight of 318.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-1-oxo-3H-isoindol-5-yl)oxy]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 154793634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).