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

C15H12N2O4S — CID 2308234

IUPACethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C15H12N2O4S/c1-2-20-14(19)10-8-22-15(16-10)17-13(18)12-7-9-5-3-4-6-11(9)21-12/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyKPYBHLHUHFTBGR-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.32
Rot. Bonds4

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

ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate (PubChem CID 2308234) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
PubChem CID2308234
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Nameethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C15H12N2O4S/c1-2-20-14(19)10-8-22-15(16-10)17-13(18)12-7-9-5-3-4-6-11(9)21-12/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyKPYBHLHUHFTBGR-UHFFFAOYSA-N
XLogP3.32
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate
CID 87157744
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate
CID 8718221
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 43951121
ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 78772620
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 16952741
ethyl 2-(2-chloropropanoylamino)-1,3-thiazole-4-carboxylate
CID 10515652
ethyl 2-[[4-(methylsulfonylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 51146352

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate (CID 2308234) is ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cc3ccccc3o2)n1.
What is the InChIKey of ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is KPYBHLHUHFTBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-2-20-14(19)10-8-22-15(16-10)17-13(18)12-7-9-5-3-4-6-11(9)21-12/h3-8H,2H2,1H3,(H,16,17,18).
What are the key properties of ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 316.34 g/mol, XLogP of 3.32, 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)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2308234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).