2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

C11H5Cl5N2OS — CID 4674763

IUPAC2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H5Cl5N2OS/c12-5-1-2-6(7(13)3-5)8-4-20-10(17-8)18-9(19)11(14,15)16/h1-4H,(H,17,18,19)
InChIKeyNJDMYBXVTHCVJH-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.43
Rot. Bonds2

About 2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide

2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4674763) has the molecular formula C11H5Cl5N2OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID4674763
Molecular FormulaC11H5Cl5N2OS
Molecular Weight390.51 g/mol
Exact Mass387.86
IUPAC Name2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H5Cl5N2OS/c12-5-1-2-6(7(13)3-5)8-4-20-10(17-8)18-9(19)11(14,15)16/h1-4H,(H,17,18,19)
InChIKeyNJDMYBXVTHCVJH-UHFFFAOYSA-N
XLogP5.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19181152
3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19220952
methyl 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]acetate
CID 15458625
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenyl)sulfanylacetamide
CID 3822119
(1R,2R,3S,4S)-3-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 26779366
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 41151631
2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 5152633
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30289420
2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,6-dimethylcyclohexane-1-carboxylic acid
CID 123524297

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 4674763) is 2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NJDMYBXVTHCVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl5N2OS/c12-5-1-2-6(7(13)3-5)8-4-20-10(17-8)18-9(19)11(14,15)16/h1-4H,(H,17,18,19).
What are the key properties of 2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4674763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).