N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide

C22H22BrN3O2S — CID 55537490

IUPACN-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1
InChIInChI=1S/C22H22BrN3O2S/c1-22(2,3)21(28)26-17-9-5-8-16(11-17)24-19(27)12-18-13-29-20(25-18)14-6-4-7-15(23)10-14/h4-11,13H,12H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyGLKQCMSFMCLRIX-UHFFFAOYSA-N
MW472.41 g/mol
LogP5.74
Rot. Bonds5

About N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 55537490) has the molecular formula C22H22BrN3O2S and a molecular weight of 472.41 g/mol. Its IUPAC name is N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID55537490
Molecular FormulaC22H22BrN3O2S
Molecular Weight472.41 g/mol
Exact Mass471.06
IUPAC NameN-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1
InChIInChI=1S/C22H22BrN3O2S/c1-22(2,3)21(28)26-17-9-5-8-16(11-17)24-19(27)12-18-13-29-20(25-18)14-6-4-7-15(23)10-14/h4-11,13H,12H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyGLKQCMSFMCLRIX-UHFFFAOYSA-N
XLogP5.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.41
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[3-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537701
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 55812136
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
N-(2-amino-2-methylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119629857
N-[1-(3-acetamidophenyl)ethyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55581854
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide
CID 55513472
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721
ethyl 2-[2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 16602656
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 27397465
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide (CID 55537490) is N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)c1.
What is the InChIKey of N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GLKQCMSFMCLRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O2S/c1-22(2,3)21(28)26-17-9-5-8-16(11-17)24-19(27)12-18-13-29-20(25-18)14-6-4-7-15(23)10-14/h4-11,13H,12H2,1-3H3,(H,24,27)(H,26,28).
What are the key properties of N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 472.41 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 55537490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).