4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C16H10BrFN2OS — CID 26687571

IUPAC4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1F
InChIInChI=1S/C16H10BrFN2OS/c17-11-6-7-12(13(18)8-11)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyDXRFVWKCDTXRCD-UHFFFAOYSA-N
MW377.24 g/mol
LogP4.96
Rot. Bonds3

About 4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 26687571) has the molecular formula C16H10BrFN2OS and a molecular weight of 377.24 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID26687571
Molecular FormulaC16H10BrFN2OS
Molecular Weight377.24 g/mol
Exact Mass375.97
IUPAC Name4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1F
InChIInChI=1S/C16H10BrFN2OS/c17-11-6-7-12(13(18)8-11)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyDXRFVWKCDTXRCD-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863689
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide
CID 18139574
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26249519
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide
CID 23822903
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 26687571) is 4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is DXRFVWKCDTXRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN2OS/c17-11-6-7-12(13(18)8-11)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21).
What are the key properties of 4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 377.24 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 26687571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).