2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C13H13ClN2O2S — CID 19194825

IUPAC2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)CCl)n1
InChIInChI=1S/C13H13ClN2O2S/c1-2-18-11-6-4-3-5-9(11)10-8-19-13(15-10)16-12(17)7-14/h3-6,8H,2,7H2,1H3,(H,15,16,17)
InChIKeyITTKHZYBSWJGCO-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.39
Rot. Bonds5

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

2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19194825) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19194825
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)CCl)n1
InChIInChI=1S/C13H13ClN2O2S/c1-2-18-11-6-4-3-5-9(11)10-8-19-13(15-10)16-12(17)7-14/h3-6,8H,2,7H2,1H3,(H,15,16,17)
InChIKeyITTKHZYBSWJGCO-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19196497
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 55895223
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203196
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55896488
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 17404839
2-[2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 20894861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19194825) is 2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCOc1ccccc1-c1csc(NC(=O)CCl)n1.
What is the InChIKey of 2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ITTKHZYBSWJGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-2-18-11-6-4-3-5-9(11)10-8-19-13(15-10)16-12(17)7-14/h3-6,8H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 296.78 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19194825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).