ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate

C10H12N2O4S — CID 153379175

IUPACethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate
SMILES[H]/N=C(\C(=O)OCC)c1csc(C(=O)OCC)n1
InChIInChI=1S/C10H12N2O4S/c1-3-15-9(13)7(11)6-5-17-8(12-6)10(14)16-4-2/h5,11H,3-4H2,1-2H3/b11-7-
InChIKeyKGQJFNSGEFPPTK-XFFZJAGNSA-N
MW256.28 g/mol
LogP1.25
Rot. Bonds5

About ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate

ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate (PubChem CID 153379175) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate
PubChem CID153379175
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Nameethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate
SMILES[H]/N=C(\C(=O)OCC)c1csc(C(=O)OCC)n1
InChIInChI=1S/C10H12N2O4S/c1-3-15-9(13)7(11)6-5-17-8(12-6)10(14)16-4-2/h5,11H,3-4H2,1-2H3/b11-7-
InChIKeyKGQJFNSGEFPPTK-XFFZJAGNSA-N
XLogP1.25
TPSA89.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate (CID 153379175) is ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate is [H]/N=C(\C(=O)OCC)c1csc(C(=O)OCC)n1.
What is the InChIKey of ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate?
The InChIKey is KGQJFNSGEFPPTK-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-3-15-9(13)7(11)6-5-17-8(12-6)10(14)16-4-2/h5,11H,3-4H2,1-2H3/b11-7-.
What are the key properties of ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate has a molecular weight of 256.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxy-2-oxoethanimidoyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 153379175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).