5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide

C11H6BrN3O2S — CID 19225426

IUPAC5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nncs1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C11H6BrN3O2S/c12-7-1-2-8-6(3-7)4-9(17-8)10(16)14-11-15-13-5-18-11/h1-5H,(H,14,15,16)
InChIKeyJFLNPHBHSFEXCH-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.30
Rot. Bonds2

About 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide

5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 19225426) has the molecular formula C11H6BrN3O2S and a molecular weight of 324.16 g/mol. Its IUPAC name is 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID19225426
Molecular FormulaC11H6BrN3O2S
Molecular Weight324.16 g/mol
Exact Mass322.94
IUPAC Name5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nncs1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C11H6BrN3O2S/c12-7-1-2-8-6(3-7)4-9(17-8)10(16)14-11-15-13-5-18-11/h1-5H,(H,14,15,16)
InChIKeyJFLNPHBHSFEXCH-UHFFFAOYSA-N
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46430792
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19229440
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 19225280
5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 75414714
5-bromo-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 19225383
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
(E)-1-(5-bromo-1-benzofuran-2-yl)-3-(1,3-thiazol-5-yl)prop-2-en-1-one
CID 166225100
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
CID 43822479

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide (CID 19225426) is 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide is O=C(Nc1nncs1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is JFLNPHBHSFEXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrN3O2S/c12-7-1-2-8-6(3-7)4-9(17-8)10(16)14-11-15-13-5-18-11/h1-5H,(H,14,15,16).
What are the key properties of 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 324.16 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19225426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).