ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

C16H14N2O4S — CID 672646

IUPACethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc3ccccc3o2)nc1C
InChIInChI=1S/C16H14N2O4S/c1-3-21-15(20)13-9(2)17-16(23-13)18-14(19)12-8-10-6-4-5-7-11(10)22-12/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyXXADPKJLXKKTIG-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.63
Rot. Bonds4

About ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 672646) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID672646
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Nameethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cc3ccccc3o2)nc1C
InChIInChI=1S/C16H14N2O4S/c1-3-21-15(20)13-9(2)17-16(23-13)18-14(19)12-8-10-6-4-5-7-11(10)22-12/h4-8H,3H2,1-2H3,(H,17,18,19)
InChIKeyXXADPKJLXKKTIG-UHFFFAOYSA-N
XLogP3.63
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 672646) is ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cc3ccccc3o2)nc1C.
What is the InChIKey of ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is XXADPKJLXKKTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-3-21-15(20)13-9(2)17-16(23-13)18-14(19)12-8-10-6-4-5-7-11(10)22-12/h4-8H,3H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzofuran-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 672646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).