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

C23H17BrN2O2S — CID 122286197

IUPAC2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C23H17BrN2O2S/c1-28-18-10-11-20(24)19(13-18)22(27)25-17-9-5-8-16(12-17)21-14-29-23(26-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,27)
InChIKeySWZFAGXTSNQOCR-UHFFFAOYSA-N
MW465.37 g/mol
LogP6.50
Rot. Bonds5

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

2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 122286197) has the molecular formula C23H17BrN2O2S and a molecular weight of 465.37 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID122286197
Molecular FormulaC23H17BrN2O2S
Molecular Weight465.37 g/mol
Exact Mass464.02
IUPAC Name2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C23H17BrN2O2S/c1-28-18-10-11-20(24)19(13-18)22(27)25-17-9-5-8-16(12-17)21-14-29-23(26-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,27)
InChIKeySWZFAGXTSNQOCR-UHFFFAOYSA-N
XLogP6.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.37
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide
CID 122283422
2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580
2,4-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide;ethane
CID 143409150
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830
N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide
CID 171982252
3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 24625358
2-bromo-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methoxybenzamide
CID 32572851
N-[3-[2-[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 21358305

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 122286197) is 2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is COc1ccc(Br)c(C(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is SWZFAGXTSNQOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O2S/c1-28-18-10-11-20(24)19(13-18)22(27)25-17-9-5-8-16(12-17)21-14-29-23(26-21)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,27).
What are the key properties of 2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 465.37 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 122286197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).