4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

C16H9BrF2N2OS — CID 26693919

IUPAC4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Br)cc1F
InChIInChI=1S/C16H9BrF2N2OS/c17-10-3-6-12(13(19)7-10)15(22)21-16-20-14(8-23-16)9-1-4-11(18)5-2-9/h1-8H,(H,20,21,22)
InChIKeyCGMVJPOLWIMQFD-UHFFFAOYSA-N
MW395.23 g/mol
LogP5.10
Rot. Bonds3

About 4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 26693919) has the molecular formula C16H9BrF2N2OS and a molecular weight of 395.23 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID26693919
Molecular FormulaC16H9BrF2N2OS
Molecular Weight395.23 g/mol
Exact Mass393.96
IUPAC Name4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Br)cc1F
InChIInChI=1S/C16H9BrF2N2OS/c17-10-3-6-12(13(19)7-10)15(22)21-16-20-14(8-23-16)9-1-4-11(18)5-2-9/h1-8H,(H,20,21,22)
InChIKeyCGMVJPOLWIMQFD-UHFFFAOYSA-N
XLogP5.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.23
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657106
4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86941977
4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863689
2,4-difluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 7915677
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8918311
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide
CID 18139574
2,4-difluoro-N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 55494134
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,4-dinitrobenzamide
CID 3500120
2-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 27669360

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 26693919) is 4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is CGMVJPOLWIMQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N2OS/c17-10-3-6-12(13(19)7-10)15(22)21-16-20-14(8-23-16)9-1-4-11(18)5-2-9/h1-8H,(H,20,21,22).
What are the key properties of 4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 395.23 g/mol, XLogP of 5.10, 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-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 26693919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).