5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide

C12H6BrClN2O2S — CID 666312

IUPAC5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)c1ccc(Br)o1
InChIInChI=1S/C12H6BrClN2O2S/c13-9-5-4-7(18-9)11(17)16-12-15-10-6(14)2-1-3-8(10)19-12/h1-5H,(H,15,16,17)
InChIKeyGSHZCEGLIIHAPZ-UHFFFAOYSA-N
MW357.62 g/mol
LogP4.56
Rot. Bonds2

About 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide

5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 666312) has the molecular formula C12H6BrClN2O2S and a molecular weight of 357.62 g/mol. Its IUPAC name is 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID666312
Molecular FormulaC12H6BrClN2O2S
Molecular Weight357.62 g/mol
Exact Mass355.90
IUPAC Name5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)c1ccc(Br)o1
InChIInChI=1S/C12H6BrClN2O2S/c13-9-5-4-7(18-9)11(17)16-12-15-10-6(14)2-1-3-8(10)19-12/h1-5H,(H,15,16,17)
InChIKeyGSHZCEGLIIHAPZ-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 666312) is 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is GSHZCEGLIIHAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O2S/c13-9-5-4-7(18-9)11(17)16-12-15-10-6(14)2-1-3-8(10)19-12/h1-5H,(H,15,16,17).
What are the key properties of 5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
5-bromo-N-(4-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-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 666312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).