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

C13H12Cl2N2O2S — CID 19194831

IUPAC2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)C(Cl)Cl)n1
InChIInChI=1S/C13H12Cl2N2O2S/c1-2-19-10-6-4-3-5-8(10)9-7-20-13(16-9)17-12(18)11(14)15/h3-7,11H,2H2,1H3,(H,16,17,18)
InChIKeyMBYMFCWFHCFWHV-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.95
Rot. Bonds5

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

2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19194831) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19194831
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)C(Cl)Cl)n1
InChIInChI=1S/C13H12Cl2N2O2S/c1-2-19-10-6-4-3-5-8(10)9-7-20-13(16-9)17-12(18)11(14)15/h3-7,11H,2H2,1H3,(H,16,17,18)
InChIKeyMBYMFCWFHCFWHV-UHFFFAOYSA-N
XLogP3.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.95
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-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 55895475
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]-2-(4-propylphenoxy)acetamide
CID 19196497
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55896365
2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856308
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55896488
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203196
4-(1,3-benzothiazol-2-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 55895223

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19194831) is 2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCOc1ccccc1-c1csc(NC(=O)C(Cl)Cl)n1.
What is the InChIKey of 2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is MBYMFCWFHCFWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-2-19-10-6-4-3-5-8(10)9-7-20-13(16-9)17-12(18)11(14)15/h3-7,11H,2H2,1H3,(H,16,17,18).
What are the key properties of 2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 331.22 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19194831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).