5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

C24H15BrN2O2S — CID 19225419

IUPAC5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C24H15BrN2O2S/c25-19-10-11-21-18(12-19)13-22(29-21)23(28)27-24-26-20(14-30-24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,26,27,28)
InChIKeyYTRQCXFEIAZMRJ-UHFFFAOYSA-N
MW475.37 g/mol
LogP7.24
Rot. Bonds4

About 5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 19225419) has the molecular formula C24H15BrN2O2S and a molecular weight of 475.37 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID19225419
Molecular FormulaC24H15BrN2O2S
Molecular Weight475.37 g/mol
Exact Mass474.00
IUPAC Name5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C24H15BrN2O2S/c25-19-10-11-21-18(12-19)13-22(29-21)23(28)27-24-26-20(14-30-24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,26,27,28)
InChIKeyYTRQCXFEIAZMRJ-UHFFFAOYSA-N
XLogP7.24
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.37
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2715669
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19225426
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 46629048
(5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone
CID 23824758
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 19225419) is 5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is YTRQCXFEIAZMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrN2O2S/c25-19-10-11-21-18(12-19)13-22(29-21)23(28)27-24-26-20(14-30-24)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,26,27,28).
What are the key properties of 5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 475.37 g/mol, XLogP of 7.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19225419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).