N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide

C18H11BrN2O2S — CID 2215189

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Br)o1
InChIInChI=1S/C18H11BrN2O2S/c19-16-10-9-14(23-16)17(22)20-12-6-2-1-5-11(12)18-21-13-7-3-4-8-15(13)24-18/h1-10H,(H,20,22)
InChIKeyJDQYCVDWNOVBFL-UHFFFAOYSA-N
MW399.27 g/mol
LogP5.57
Rot. Bonds3

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide (PubChem CID 2215189) has the molecular formula C18H11BrN2O2S and a molecular weight of 399.27 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide
PubChem CID2215189
Molecular FormulaC18H11BrN2O2S
Molecular Weight399.27 g/mol
Exact Mass397.97
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Br)o1
InChIInChI=1S/C18H11BrN2O2S/c19-16-10-9-14(23-16)17(22)20-12-6-2-1-5-11(12)18-21-13-7-3-4-8-15(13)24-18/h1-10H,(H,20,22)
InChIKeyJDQYCVDWNOVBFL-UHFFFAOYSA-N
XLogP5.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.27
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide
CID 1086066
Furan-2-carboxylic acid 4-benzothiazol-2-yl-benzylamide
CID 2979650
5-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 795005
5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-furamide
CID 983644
5-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2101616
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1242890
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 1076222
N-(2-methyl-1,3-benzothiazol-6-yl)-2-furancarboxamide
CID 1085170
N-[4-(1,3-benzothiazol-2-yl)benzyl]-1-benzofuran-2-carboxamide
CID 1254657
N-[4-(1,3-benzothiazol-2-yl)benzyl]-5-bromo-2-furamide
CID 1254658
5-bromo-N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 1257715
N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide
CID 2141383

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide (CID 2215189) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide is O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Br)o1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide?
The InChIKey is JDQYCVDWNOVBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2O2S/c19-16-10-9-14(23-16)17(22)20-12-6-2-1-5-11(12)18-21-13-7-3-4-8-15(13)24-18/h1-10H,(H,20,22).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide has a molecular weight of 399.27 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 2215189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).