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

C23H25BrN2O2S — CID 2072321

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
SMILESCc1cc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1C(C)C
InChIInChI=1S/C23H25BrN2O2S/c1-15(2)20-11-10-19(13-16(20)3)28-12-4-5-22(27)26-23-25-21(14-29-23)17-6-8-18(24)9-7-17/h6-11,13-15H,4-5,12H2,1-3H3,(H,25,26,27)
InChIKeyYJXFJWQFOGWYBP-UHFFFAOYSA-N
MW473.44 g/mol
LogP6.80
Rot. Bonds8

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide (PubChem CID 2072321) has the molecular formula C23H25BrN2O2S and a molecular weight of 473.44 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
PubChem CID2072321
Molecular FormulaC23H25BrN2O2S
Molecular Weight473.44 g/mol
Exact Mass472.08
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
SMILESCc1cc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1C(C)C
InChIInChI=1S/C23H25BrN2O2S/c1-15(2)20-11-10-19(13-16(20)3)28-12-4-5-22(27)26-23-25-21(14-29-23)17-6-8-18(24)9-7-17/h6-11,13-15H,4-5,12H2,1-3H3,(H,25,26,27)
InChIKeyYJXFJWQFOGWYBP-UHFFFAOYSA-N
XLogP6.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.44
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072382
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19196934
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7921909
N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072293
4-(4-chloro-3-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19191298
ethyl 2-[2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]-1,3-thiazol-4-yl]acetate
CID 2072295
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173197
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 19206013

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide (CID 2072321) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide is Cc1cc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1C(C)C.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The InChIKey is YJXFJWQFOGWYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O2S/c1-15(2)20-11-10-19(13-16(20)3)28-12-4-5-22(27)26-23-25-21(14-29-23)17-6-8-18(24)9-7-17/h6-11,13-15H,4-5,12H2,1-3H3,(H,25,26,27).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide has a molecular weight of 473.44 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3-methyl-4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 2072321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).