ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate

C15H12N2O4S — CID 646260

IUPACethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C15H12N2O4S/c1-2-20-14(19)9-5-6-10-12(8-9)22-15(16-10)17-13(18)11-4-3-7-21-11/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyWOUSKEGPVJGDDQ-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.32
Rot. Bonds4

About ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate

ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate (PubChem CID 646260) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
PubChem CID646260
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Nameethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C15H12N2O4S/c1-2-20-14(19)9-5-6-10-12(8-9)22-15(16-10)17-13(18)11-4-3-7-21-11/h3-8H,2H2,1H3,(H,16,17,18)
InChIKeyWOUSKEGPVJGDDQ-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

N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 9193366
N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 19213737
ethyl 2-[[5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 21046384
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 40959608
ethyl 2-[(4-butoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4106278
ethyl 2-[(4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 1144074
ethyl 2-(2-ethylbutanoylamino)-1,3-benzothiazole-6-carboxylate
CID 108739160
ethyl 2-(phenoxycarbonylamino)-1,3-benzothiazole-6-carboxylate
CID 87933804
ethyl 2-[(4-methyl-3,5-dinitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 108739184
ethyl 2-(3-methylbutanoylamino)-1,3-benzothiazole-6-carboxylate
CID 29246675
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 43854833
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 3378109

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate?
The IUPAC name of ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate (CID 646260) is ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate is CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1.
What is the InChIKey of ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate?
The InChIKey is WOUSKEGPVJGDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c1-2-20-14(19)9-5-6-10-12(8-9)22-15(16-10)17-13(18)11-4-3-7-21-11/h3-8H,2H2,1H3,(H,16,17,18).
What are the key properties of ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate?
ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-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-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 646260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).