ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate

C10H14N2O3S — CID 5057306

IUPACethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1s/c(=N\C(C)=O)n(C)c1C
InChIInChI=1S/C10H14N2O3S/c1-5-15-9(14)8-6(2)12(4)10(16-8)11-7(3)13/h5H2,1-4H3/b11-10-
InChIKeyOGUNMCGTDYJSDD-KHPPLWFESA-N
MW242.30 g/mol
LogP1.02
Rot. Bonds2

About ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate

ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 5057306) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID5057306
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1s/c(=N\C(C)=O)n(C)c1C
InChIInChI=1S/C10H14N2O3S/c1-5-15-9(14)8-6(2)12(4)10(16-8)11-7(3)13/h5H2,1-4H3/b11-10-
InChIKeyOGUNMCGTDYJSDD-KHPPLWFESA-N
XLogP1.02
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate (CID 5057306) is ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1s/c(=N\C(C)=O)n(C)c1C.
What is the InChIKey of ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is OGUNMCGTDYJSDD-KHPPLWFESA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-5-15-9(14)8-6(2)12(4)10(16-8)11-7(3)13/h5H2,1-4H3/b11-10-.
What are the key properties of ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate?
ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 5057306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).