2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide

C27H26N2O2S — CID 19178615

IUPAC2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C27H26N2O2S/c1-27(2,3)22-13-15-23(16-14-22)31-17-25(30)29-26-28-24(18-32-26)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-16,18H,17H2,1-3H3,(H,28,29,30)
InChIKeyKGGDIWRXHOUARD-UHFFFAOYSA-N
MW442.58 g/mol
LogP6.79
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide

2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19178615) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19178615
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C27H26N2O2S/c1-27(2,3)22-13-15-23(16-14-22)31-17-25(30)29-26-28-24(18-32-26)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-16,18H,17H2,1-3H3,(H,28,29,30)
InChIKeyKGGDIWRXHOUARD-UHFFFAOYSA-N
XLogP6.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide 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-phenylphenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19178629
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 18227067
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 51185945
2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227816
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19196910
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196755
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19171311
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide (CID 19178615) is 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KGGDIWRXHOUARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2S/c1-27(2,3)22-13-15-23(16-14-22)31-17-25(30)29-26-28-24(18-32-26)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-16,18H,17H2,1-3H3,(H,28,29,30).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 442.58 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19178615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).