[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

C15H11BrN2O4S — CID 1250236

IUPAC[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCc1ccc2nc(NC(=O)COC(=O)c3ccc(Br)o3)sc2c1
InChIInChI=1S/C15H11BrN2O4S/c1-8-2-3-9-11(6-8)23-15(17-9)18-13(19)7-21-14(20)10-4-5-12(16)22-10/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyWVZCYKKCOSRKGR-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.76
Rot. Bonds4

About [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 1250236) has the molecular formula C15H11BrN2O4S and a molecular weight of 395.23 g/mol. Its IUPAC name is [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID1250236
Molecular FormulaC15H11BrN2O4S
Molecular Weight395.23 g/mol
Exact Mass393.96
IUPAC Name[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCc1ccc2nc(NC(=O)COC(=O)c3ccc(Br)o3)sc2c1
InChIInChI=1S/C15H11BrN2O4S/c1-8-2-3-9-11(6-8)23-15(17-9)18-13(19)7-21-14(20)10-4-5-12(16)22-10/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyWVZCYKKCOSRKGR-UHFFFAOYSA-N
XLogP3.76
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate with MolForge

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Related Compounds

2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 23742164
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2448233
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (2R)-2-methylpentanoate
CID 2357128
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23828313
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-bromofuran-2-carboxylate
CID 2589494
2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 22830673
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 23905623
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 6-chloro-2H-chromene-3-carboxylate
CID 18293054
5-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 887647
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 1250236) is [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is Cc1ccc2nc(NC(=O)COC(=O)c3ccc(Br)o3)sc2c1.
What is the InChIKey of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is WVZCYKKCOSRKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O4S/c1-8-2-3-9-11(6-8)23-15(17-9)18-13(19)7-21-14(20)10-4-5-12(16)22-10/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 395.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 1250236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).