N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide

C18H13BrN2O2S — CID 7920269

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H13BrN2O2S/c1-11(22)16-15(12-5-3-2-4-6-12)20-18(24-16)21-17(23)13-7-9-14(19)10-8-13/h2-10H,1H3,(H,20,21,23)
InChIKeyFOZZISWXRMJJDY-UHFFFAOYSA-N
MW401.29 g/mol
LogP5.03
Rot. Bonds4

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide (PubChem CID 7920269) has the molecular formula C18H13BrN2O2S and a molecular weight of 401.29 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
PubChem CID7920269
Molecular FormulaC18H13BrN2O2S
Molecular Weight401.29 g/mol
Exact Mass399.99
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H13BrN2O2S/c1-11(22)16-15(12-5-3-2-4-6-12)20-18(24-16)21-17(23)13-7-9-14(19)10-8-13/h2-10H,1H3,(H,20,21,23)
InChIKeyFOZZISWXRMJJDY-UHFFFAOYSA-N
XLogP5.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-4-bromobenzamide
CID 26196562
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-bromophenyl)acetamide
CID 26196726
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)benzamide
CID 8918344
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(difluoromethylsulfonyl)benzamide
CID 26196494
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3540280
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 26196521
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-bromo-5-methoxybenzamide
CID 26196544

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide (CID 7920269) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide is CC(=O)c1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide?
The InChIKey is FOZZISWXRMJJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O2S/c1-11(22)16-15(12-5-3-2-4-6-12)20-18(24-16)21-17(23)13-7-9-14(19)10-8-13/h2-10H,1H3,(H,20,21,23).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide has a molecular weight of 401.29 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide is sourced from PubChem (CID 7920269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).