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

C17H12BrFN2OS — CID 8534184

IUPAC5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(Br)ccc3F)cc2)cs1
InChIInChI=1S/C17H12BrFN2OS/c1-10-20-16(9-23-10)11-2-5-13(6-3-11)21-17(22)14-8-12(18)4-7-15(14)19/h2-9H,1H3,(H,21,22)
InChIKeyMRHSLGQQVWMNCA-UHFFFAOYSA-N
MW391.27 g/mol
LogP5.27
Rot. Bonds3

About 5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 8534184) has the molecular formula C17H12BrFN2OS and a molecular weight of 391.27 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID8534184
Molecular FormulaC17H12BrFN2OS
Molecular Weight391.27 g/mol
Exact Mass389.98
IUPAC Name5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(Br)ccc3F)cc2)cs1
InChIInChI=1S/C17H12BrFN2OS/c1-10-20-16(9-23-10)11-2-5-13(6-3-11)21-17(22)14-8-12(18)4-7-15(14)19/h2-9H,1H3,(H,21,22)
InChIKeyMRHSLGQQVWMNCA-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.27
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
CID 24686334
2,4,5-trifluoro-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286618
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533912
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619296
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 8534104
5-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 55638814

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 8534184) is 5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1nc(-c2ccc(NC(=O)c3cc(Br)ccc3F)cc2)cs1.
What is the InChIKey of 5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is MRHSLGQQVWMNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2OS/c1-10-20-16(9-23-10)11-2-5-13(6-3-11)21-17(22)14-8-12(18)4-7-15(14)19/h2-9H,1H3,(H,21,22).
What are the key properties of 5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 8534184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).