5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide

C12H6BrClN2O2S — CID 997681

IUPAC5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)o1
InChIInChI=1S/C12H6BrClN2O2S/c13-10-4-3-8(18-10)11(17)16-12-15-7-2-1-6(14)5-9(7)19-12/h1-5H,(H,15,16,17)
InChIKeyKFLVTDTXSKTSMA-UHFFFAOYSA-N
MW357.62 g/mol
LogP4.56
Rot. Bonds2

About 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide

5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 997681) has the molecular formula C12H6BrClN2O2S and a molecular weight of 357.62 g/mol. Its IUPAC name is 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID997681
Molecular FormulaC12H6BrClN2O2S
Molecular Weight357.62 g/mol
Exact Mass355.90
IUPAC Name5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)o1
InChIInChI=1S/C12H6BrClN2O2S/c13-10-4-3-8(18-10)11(17)16-12-15-7-2-1-6(14)5-9(7)19-12/h1-5H,(H,15,16,17)
InChIKeyKFLVTDTXSKTSMA-UHFFFAOYSA-N
XLogP4.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 618279
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
5-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 795005
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 834435
N-(6-bromo-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 896391
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-furamide
CID 952748
N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide
CID 2445991
5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 666312

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 997681) is 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is KFLVTDTXSKTSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O2S/c13-10-4-3-8(18-10)11(17)16-12-15-7-2-1-6(14)5-9(7)19-12/h1-5H,(H,15,16,17).
What are the key properties of 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 357.62 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 997681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).