(5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone

C18H9Br2NO2S — CID 23824758

IUPAC(5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone
SMILESO=C(c1cc2cc(Br)ccc2o1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H9Br2NO2S/c19-12-3-1-10(2-4-12)14-9-24-18(21-14)17(22)16-8-11-7-13(20)5-6-15(11)23-16/h1-9H
InChIKeyNIXMKRDFLGTBDL-UHFFFAOYSA-N
MW463.15 g/mol
LogP6.31
Rot. Bonds3

About (5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone

(5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone (PubChem CID 23824758) has the molecular formula C18H9Br2NO2S and a molecular weight of 463.15 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone
PubChem CID23824758
Molecular FormulaC18H9Br2NO2S
Molecular Weight463.15 g/mol
Exact Mass460.87
IUPAC Name(5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone
SMILESO=C(c1cc2cc(Br)ccc2o1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H9Br2NO2S/c19-12-3-1-10(2-4-12)14-9-24-18(21-14)17(22)16-8-11-7-13(20)5-6-15(11)23-16/h1-9H
InChIKeyNIXMKRDFLGTBDL-UHFFFAOYSA-N
XLogP6.31
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.15
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
(5-nitro-1-benzofuran-2-yl)-[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]methanone
CID 23906151
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561
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-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19229440
5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19225426
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
(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-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone
CID 71301977
5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 75414714
4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 19375948

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone (CID 23824758) is (5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone is O=C(c1cc2cc(Br)ccc2o1)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone?
The InChIKey is NIXMKRDFLGTBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Br2NO2S/c19-12-3-1-10(2-4-12)14-9-24-18(21-14)17(22)16-8-11-7-13(20)5-6-15(11)23-16/h1-9H.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone?
(5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone has a molecular weight of 463.15 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-[4-(4-bromophenyl)-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 23824758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).