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

C14H12N2O5S2 — CID 87157744

IUPACethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NS(=O)(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C14H12N2O5S2/c1-2-20-13(17)10-8-22-14(15-10)16-23(18,19)12-7-9-5-3-4-6-11(9)21-12/h3-8H,2H2,1H3,(H,15,16)
InChIKeyHGKPFFNRPWRRLB-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.87
Rot. Bonds5

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

ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate (PubChem CID 87157744) has the molecular formula C14H12N2O5S2 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate
PubChem CID87157744
Molecular FormulaC14H12N2O5S2
Molecular Weight352.39 g/mol
Exact Mass352.02
IUPAC Nameethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NS(=O)(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C14H12N2O5S2/c1-2-20-13(17)10-8-22-14(15-10)16-23(18,19)12-7-9-5-3-4-6-11(9)21-12/h3-8H,2H2,1H3,(H,15,16)
InChIKeyHGKPFFNRPWRRLB-UHFFFAOYSA-N
XLogP2.87
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-1,3-thiazole-4-carboxylate
CID 51108617
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
ethyl 3-[2-(1-benzofuran-2-ylsulfonylamino)-4-chlorophenyl]sulfonylpyridine-4-carboxylate
CID 118579993
ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
CID 9189690
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate
CID 8718221
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
ethyl 2-[(2-chlorophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 80567979

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate (CID 87157744) is ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NS(=O)(=O)c2cc3ccccc3o2)n1.
What is the InChIKey of ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is HGKPFFNRPWRRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5S2/c1-2-20-13(17)10-8-22-14(15-10)16-23(18,19)12-7-9-5-3-4-6-11(9)21-12/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzofuran-2-ylsulfonylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 87157744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).