7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C17H10BrN3O2S — CID 46450886

IUPAC7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H10BrN3O2S/c18-11-5-3-4-10-8-14(23-15(10)11)16(22)21-17-20-13(9-24-17)12-6-1-2-7-19-12/h1-9H,(H,20,21,22)
InChIKeyGSUCDTWMDYWLSE-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.97
Rot. Bonds3

About 7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 46450886) has the molecular formula C17H10BrN3O2S and a molecular weight of 400.26 g/mol. Its IUPAC name is 7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID46450886
Molecular FormulaC17H10BrN3O2S
Molecular Weight400.26 g/mol
Exact Mass398.97
IUPAC Name7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H10BrN3O2S/c18-11-5-3-4-10-8-14(23-15(10)11)16(22)21-17-20-13(9-24-17)12-6-1-2-7-19-12/h1-9H,(H,20,21,22)
InChIKeyGSUCDTWMDYWLSE-UHFFFAOYSA-N
XLogP4.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
CID 39706116
5-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2354167
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
7-bromo-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 55782670
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
CID 38938978
7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 47289802
3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158043
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 17427879

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 46450886) is 7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is GSUCDTWMDYWLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2S/c18-11-5-3-4-10-8-14(23-15(10)11)16(22)21-17-20-13(9-24-17)12-6-1-2-7-19-12/h1-9H,(H,20,21,22).
What are the key properties of 7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 400.26 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46450886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).