2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide

C23H24N2O2S — CID 55917442

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C23H24N2O2S/c1-3-13-25(16-19-9-11-21(27-2)12-10-19)23(26)15-20-17-28-22(24-20)14-18-7-5-4-6-8-18/h3-12,17H,1,13-16H2,2H3
InChIKeyKAWXMDKOJVYFQA-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.50
Rot. Bonds9

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide (PubChem CID 55917442) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
PubChem CID55917442
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C23H24N2O2S/c1-3-13-25(16-19-9-11-21(27-2)12-10-19)23(26)15-20-17-28-22(24-20)14-18-7-5-4-6-8-18/h3-12,17H,1,13-16H2,2H3
InChIKeyKAWXMDKOJVYFQA-UHFFFAOYSA-N
XLogP4.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylacetamide
CID 48523916
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 86847886
1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089349
2-(2-benzyl-1,3-thiazol-4-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 55650163
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 62798203
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 55669656
3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-methylamino]propanoic acid
CID 119233037
3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
CID 119741680
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 46008653
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide (CID 55917442) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide?
The InChIKey is KAWXMDKOJVYFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-3-13-25(16-19-9-11-21(27-2)12-10-19)23(26)15-20-17-28-22(24-20)14-18-7-5-4-6-8-18/h3-12,17H,1,13-16H2,2H3.
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide has a molecular weight of 392.52 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55917442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).