N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide

C19H18N2O2S — CID 108737586

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H18N2O2S/c22-18(13-23-17-9-5-2-6-10-17)20-12-16-14-24-19(21-16)11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H,20,22)
InChIKeyBOXGHYSLPBLDQA-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.43
Rot. Bonds7

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

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide (PubChem CID 108737586) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
PubChem CID108737586
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H18N2O2S/c22-18(13-23-17-9-5-2-6-10-17)20-12-16-14-24-19(21-16)11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H,20,22)
InChIKeyBOXGHYSLPBLDQA-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide 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-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(4-nitrophenoxy)acetamide
CID 108737701
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(4-chloro-3,5-dimethylphenoxy)butanamide
CID 108760585
prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate
CID 108737641
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108737687
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108737608
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
CID 108760464
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide (CID 108737586) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCc1csc(Cc2ccccc2)n1.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide?
The InChIKey is BOXGHYSLPBLDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-18(13-23-17-9-5-2-6-10-17)20-12-16-14-24-19(21-16)11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H,20,22).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide has a molecular weight of 338.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 108737586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).