ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate

C16H14N2O4S — CID 2445379

IUPACethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C16H14N2O4S/c1-2-21-14(19)8-11-9-23-16(17-11)18-15(20)13-7-10-5-3-4-6-12(10)22-13/h3-7,9H,2,8H2,1H3,(H,17,18,20)
InChIKeyVEUQYPYUXNZXMN-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.25
Rot. Bonds5

About ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 2445379) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID2445379
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Nameethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C16H14N2O4S/c1-2-21-14(19)8-11-9-23-16(17-11)18-15(20)13-7-10-5-3-4-6-12(10)22-13/h3-7,9H,2,8H2,1H3,(H,17,18,20)
InChIKeyVEUQYPYUXNZXMN-UHFFFAOYSA-N
XLogP3.25
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 2445379) is ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc3ccccc3o2)n1.
What is the InChIKey of ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is VEUQYPYUXNZXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-2-21-14(19)8-11-9-23-16(17-11)18-15(20)13-7-10-5-3-4-6-12(10)22-13/h3-7,9H,2,8H2,1H3,(H,17,18,20).
What are the key properties of ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 330.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1-benzofuran-2-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2445379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).