ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate

C9H12N2O3S — CID 3613560

IUPACethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CC)n1
InChIInChI=1S/C9H12N2O3S/c1-3-7(12)11-9-10-6(5-15-9)8(13)14-4-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyAMEUZLDSEOROIL-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.67
Rot. Bonds4

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

ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate (PubChem CID 3613560) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate
PubChem CID3613560
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Nameethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CC)n1
InChIInChI=1S/C9H12N2O3S/c1-3-7(12)11-9-10-6(5-15-9)8(13)14-4-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyAMEUZLDSEOROIL-UHFFFAOYSA-N
XLogP1.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate (CID 3613560) is ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)CC)n1.
What is the InChIKey of ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is AMEUZLDSEOROIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-3-7(12)11-9-10-6(5-15-9)8(13)14-4-2/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 228.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propanoylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 3613560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).