3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C18H15BrN2O3S — CID 24625358

IUPAC3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H15BrN2O3S/c1-23-12-8-13(16(24-2)14(19)9-12)17(22)21-18-20-15(10-25-18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21,22)
InChIKeyMAKMWJUXFUFMBM-UHFFFAOYSA-N
MW419.30 g/mol
LogP4.84
Rot. Bonds5

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

3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 24625358) has the molecular formula C18H15BrN2O3S and a molecular weight of 419.30 g/mol. Its IUPAC name is 3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID24625358
Molecular FormulaC18H15BrN2O3S
Molecular Weight419.30 g/mol
Exact Mass418.00
IUPAC Name3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C18H15BrN2O3S/c1-23-12-8-13(16(24-2)14(19)9-12)17(22)21-18-20-15(10-25-18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21,22)
InChIKeyMAKMWJUXFUFMBM-UHFFFAOYSA-N
XLogP4.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.30
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dibromo-2-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 17117064
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4111073
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
3,5-dibromo-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 17318778
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 108798618
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
(E)-3-(3,5-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 25208412

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 24625358) is 3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is COc1cc(Br)c(OC)c(C(=O)Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MAKMWJUXFUFMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3S/c1-23-12-8-13(16(24-2)14(19)9-12)17(22)21-18-20-15(10-25-18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of 3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 419.30 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 24625358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).