4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide

C18H23BrN2O2S — CID 19206346

IUPAC4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
SMILESCc1nc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)sc1C
InChIInChI=1S/C18H23BrN2O2S/c1-11(2)14-7-8-16(15(19)10-14)23-9-5-6-17(22)21-18-20-12(3)13(4)24-18/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,21,22)
InChIKeyXPPZJPRVSVZLOO-UHFFFAOYSA-N
MW411.37 g/mol
LogP5.44
Rot. Bonds7

About 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide

4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide (PubChem CID 19206346) has the molecular formula C18H23BrN2O2S and a molecular weight of 411.37 g/mol. Its IUPAC name is 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
PubChem CID19206346
Molecular FormulaC18H23BrN2O2S
Molecular Weight411.37 g/mol
Exact Mass410.07
IUPAC Name4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
SMILESCc1nc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)sc1C
InChIInChI=1S/C18H23BrN2O2S/c1-11(2)14-7-8-16(15(19)10-14)23-9-5-6-17(22)21-18-20-12(3)13(4)24-18/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,21,22)
InChIKeyXPPZJPRVSVZLOO-UHFFFAOYSA-N
XLogP5.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.37
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 19206271
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19206206
N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206365
N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19229080
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19206344
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
CID 19206246
2-(2-bromo-4-propan-2-ylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202918
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19206218
N-(4-acetylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206321
4-(2-bromo-4-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19206295
4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 19206202
4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide
CID 19206333

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide (CID 19206346) is 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide is Cc1nc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)sc1C.
What is the InChIKey of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is XPPZJPRVSVZLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2S/c1-11(2)14-7-8-16(15(19)10-14)23-9-5-6-17(22)21-18-20-12(3)13(4)24-18/h7-8,10-11H,5-6,9H2,1-4H3,(H,20,21,22).
What are the key properties of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 411.37 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 19206346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).