N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide

C11H7BrF2N2OS — CID 82815247

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ncc(Br)s2)c1F
InChIInChI=1S/C11H7BrF2N2OS/c1-5-2-3-6(13)8(9(5)14)10(17)16-11-15-4-7(12)18-11/h2-4H,1H3,(H,15,16,17)
InChIKeyGJYVNZOEUDJTEK-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.74
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide

N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide (PubChem CID 82815247) has the molecular formula C11H7BrF2N2OS and a molecular weight of 333.16 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide
PubChem CID82815247
Molecular FormulaC11H7BrF2N2OS
Molecular Weight333.16 g/mol
Exact Mass331.94
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ncc(Br)s2)c1F
InChIInChI=1S/C11H7BrF2N2OS/c1-5-2-3-6(13)8(9(5)14)10(17)16-11-15-4-7(12)18-11/h2-4H,1H3,(H,15,16,17)
InChIKeyGJYVNZOEUDJTEK-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 82798665
N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 82814313
N-(5-bromo-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 60654750
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide
CID 87181448
N-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297178
N-(5-bromo-1,3,4-thiadiazol-2-yl)-2,3,6-trifluorobenzamide
CID 118016459
2,6-difluoro-3-methyl-N-[5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]-1,3-thiazol-2-yl]benzamide
CID 118346228
N-(5-bromo-1,3-thiazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 103602102
2-bromo-N-(5-bromo-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 107987897
N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-2-hydroxybenzamide
CID 53309399
N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 115910717
6-bromo-2-fluoro-3-methyl-N-(1,2,4-thiadiazol-5-yl)benzamide
CID 165126571

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide (CID 82815247) is N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2ncc(Br)s2)c1F.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is GJYVNZOEUDJTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2OS/c1-5-2-3-6(13)8(9(5)14)10(17)16-11-15-4-7(12)18-11/h2-4H,1H3,(H,15,16,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide?
N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 333.16 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82815247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).