2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C25H25N3O3S2 — CID 20894861

IUPAC2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)Cc2csc(COc3cc(C)ccc3C)n2)n1
InChIInChI=1S/C25H25N3O3S2/c1-4-30-21-8-6-5-7-19(21)20-15-33-25(27-20)28-23(29)12-18-14-32-24(26-18)13-31-22-11-16(2)9-10-17(22)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,27,28,29)
InChIKeyBRYIUXYCAMGYTR-UHFFFAOYSA-N
MW479.63 g/mol
LogP6.04
Rot. Bonds9

About 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 20894861) has the molecular formula C25H25N3O3S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID20894861
Molecular FormulaC25H25N3O3S2
Molecular Weight479.63 g/mol
Exact Mass479.13
IUPAC Name2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)Cc2csc(COc3cc(C)ccc3C)n2)n1
InChIInChI=1S/C25H25N3O3S2/c1-4-30-21-8-6-5-7-19(21)20-15-33-25(27-20)28-23(29)12-18-14-32-24(26-18)13-31-22-11-16(2)9-10-17(22)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,27,28,29)
InChIKeyBRYIUXYCAMGYTR-UHFFFAOYSA-N
XLogP6.04
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.63
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-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-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16600867
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 20894858
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964
2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203196
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 16572684
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 1220261
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
ethyl 2-[2-[5-(2,5-dimethylphenoxy)pentanoylamino]-1,3-thiazol-4-yl]acetate
CID 60584890
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N'-[2-(2,5-dimethylphenoxy)acetyl]acetohydrazide
CID 35819751

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 20894861) is 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCOc1ccccc1-c1csc(NC(=O)Cc2csc(COc3cc(C)ccc3C)n2)n1.
What is the InChIKey of 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BRYIUXYCAMGYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S2/c1-4-30-21-8-6-5-7-19(21)20-15-33-25(27-20)28-23(29)12-18-14-32-24(26-18)13-31-22-11-16(2)9-10-17(22)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,27,28,29).
What are the key properties of 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 479.63 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 20894861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).