2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide

C12H11ClN2O2S — CID 51279381

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
SMILESCONC(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2O2S/c1-17-15-11(16)6-8-7-18-12(14-8)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyDIQWMQZOGZTHFD-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.68
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide (PubChem CID 51279381) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
PubChem CID51279381
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
SMILESCONC(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C12H11ClN2O2S/c1-17-15-11(16)6-8-7-18-12(14-8)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyDIQWMQZOGZTHFD-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
N-(3-aminopropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119406639
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352
N-(3-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119996517
N-(4-aminocyclohexyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119476448
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 35852342
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)propyl]acetamide
CID 46432452
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9457086

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide (CID 51279381) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide is CONC(=O)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide?
The InChIKey is DIQWMQZOGZTHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-17-15-11(16)6-8-7-18-12(14-8)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide has a molecular weight of 282.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide is sourced from PubChem (CID 51279381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).