N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide

C11H9Cl2N3O2S — CID 55203691

IUPACN-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESNc1cc(Cl)c(NC(=O)Cn2ccsc2=O)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c12-7-3-6(14)4-8(13)10(7)15-9(17)5-16-1-2-19-11(16)18/h1-4H,5,14H2,(H,15,17)
InChIKeyALRXCELRGQFJDN-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.44
Rot. Bonds3

About N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide

N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 55203691) has the molecular formula C11H9Cl2N3O2S and a molecular weight of 318.19 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID55203691
Molecular FormulaC11H9Cl2N3O2S
Molecular Weight318.19 g/mol
Exact Mass316.98
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESNc1cc(Cl)c(NC(=O)Cn2ccsc2=O)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3O2S/c12-7-3-6(14)4-8(13)10(7)15-9(17)5-16-1-2-19-11(16)18/h1-4H,5,14H2,(H,15,17)
InChIKeyALRXCELRGQFJDN-UHFFFAOYSA-N
XLogP2.44
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
N-methoxy-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 130634246
N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668030
N-(4-fluorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 113244392
N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
CID 16778408
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 29294980
N-(4-amino-2,6-dichlorophenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62491302
N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55131355
N-(4-amino-2,6-dichlorophenyl)-2-ethylsulfonylacetamide
CID 43382327
N-(2-methylpropyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646877
N-(4-amino-2,6-dichlorophenyl)-2-cyclohexylsulfanylacetamide
CID 60884915
N-(2-methylbutan-2-yl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646866

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide (CID 55203691) is N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide is Nc1cc(Cl)c(NC(=O)Cn2ccsc2=O)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is ALRXCELRGQFJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2S/c12-7-3-6(14)4-8(13)10(7)15-9(17)5-16-1-2-19-11(16)18/h1-4H,5,14H2,(H,15,17).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 318.19 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-2-(2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 55203691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).