ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate

C11H15NO4S2 — CID 67510815

IUPACethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)Cc1nc(SC)sc1C(=O)OCC
InChIInChI=1S/C11H15NO4S2/c1-4-15-8(13)6-7-9(10(14)16-5-2)18-11(12-7)17-3/h4-6H2,1-3H3
InChIKeyCJWMAPDGJMRNAA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.15
Rot. Bonds6

About ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate

ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate (PubChem CID 67510815) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate
PubChem CID67510815
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Nameethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)Cc1nc(SC)sc1C(=O)OCC
InChIInChI=1S/C11H15NO4S2/c1-4-15-8(13)6-7-9(10(14)16-5-2)18-11(12-7)17-3/h4-6H2,1-3H3
InChIKeyCJWMAPDGJMRNAA-UHFFFAOYSA-N
XLogP2.15
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate (CID 67510815) is ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate is CCOC(=O)Cc1nc(SC)sc1C(=O)OCC.
What is the InChIKey of ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate?
The InChIKey is CJWMAPDGJMRNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-4-15-8(13)6-7-9(10(14)16-5-2)18-11(12-7)17-3/h4-6H2,1-3H3.
What are the key properties of ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate?
ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxy-2-oxoethyl)-2-methylsulfanyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67510815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).