ethyl 2-benzamido-1,3-thiazole-4-carboxylate

C13H12N2O3S — CID 4067950

IUPACethyl 2-benzamido-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C13H12N2O3S/c1-2-18-12(17)10-8-19-13(14-10)15-11(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyAPARLFOMPOBXSE-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.57
Rot. Bonds4

About ethyl 2-benzamido-1,3-thiazole-4-carboxylate

ethyl 2-benzamido-1,3-thiazole-4-carboxylate (PubChem CID 4067950) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is ethyl 2-benzamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzamido-1,3-thiazole-4-carboxylate
PubChem CID4067950
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Nameethyl 2-benzamido-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C13H12N2O3S/c1-2-18-12(17)10-8-19-13(14-10)15-11(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyAPARLFOMPOBXSE-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-benzamido-1,3-thiazole-4-carboxylate (CID 4067950) is ethyl 2-benzamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-benzamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-benzamido-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of ethyl 2-benzamido-1,3-thiazole-4-carboxylate?
The InChIKey is APARLFOMPOBXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-2-18-12(17)10-8-19-13(14-10)15-11(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,14,15,16).
What are the key properties of ethyl 2-benzamido-1,3-thiazole-4-carboxylate?
ethyl 2-benzamido-1,3-thiazole-4-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4067950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).