N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide

C23H23BrN2O2S — CID 126211187

IUPACN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
SMILESCc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C23H23BrN2O2S/c1-14(2)16-4-6-17(7-5-16)20(27)12-13-21(28)25-23-26-22(15(3)29-23)18-8-10-19(24)11-9-18/h4-11,14H,12-13H2,1-3H3,(H,25,26,28)
InChIKeyDTISJZGXYRZZLX-UHFFFAOYSA-N
MW471.42 g/mol
LogP6.61
Rot. Bonds7

About N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide (PubChem CID 126211187) has the molecular formula C23H23BrN2O2S and a molecular weight of 471.42 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
PubChem CID126211187
Molecular FormulaC23H23BrN2O2S
Molecular Weight471.42 g/mol
Exact Mass470.07
IUPAC NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
SMILESCc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C23H23BrN2O2S/c1-14(2)16-4-6-17(7-5-16)20(27)12-13-21(28)25-23-26-22(15(3)29-23)18-8-10-19(24)11-9-18/h4-11,14H,12-13H2,1-3H3,(H,25,26,28)
InChIKeyDTISJZGXYRZZLX-UHFFFAOYSA-N
XLogP6.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.42
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide with MolForge

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126204764
4-bromo-N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 2468731
4-(4-bromophenyl)-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126204377
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 126213805
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155141
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
CID 52566928
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide (CID 126211187) is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide is Cc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide?
The InChIKey is DTISJZGXYRZZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O2S/c1-14(2)16-4-6-17(7-5-16)20(27)12-13-21(28)25-23-26-22(15(3)29-23)18-8-10-19(24)11-9-18/h4-11,14H,12-13H2,1-3H3,(H,25,26,28).
What are the key properties of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide?
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide has a molecular weight of 471.42 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 126211187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).