4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide

C18H13Cl2N3O2S — CID 4844502

IUPAC4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1
InChIInChI=1S/C18H13Cl2N3O2S/c1-10(24)21-13-5-2-11(3-6-13)17(25)23-18-22-16(9-26-18)14-7-4-12(19)8-15(14)20/h2-9H,1H3,(H,21,24)(H,22,23,25)
InChIKeyAGMMQMFUFIVUSP-UHFFFAOYSA-N
MW406.29 g/mol
LogP5.33
Rot. Bonds4

About 4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide

4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4844502) has the molecular formula C18H13Cl2N3O2S and a molecular weight of 406.29 g/mol. Its IUPAC name is 4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4844502
Molecular FormulaC18H13Cl2N3O2S
Molecular Weight406.29 g/mol
Exact Mass405.01
IUPAC Name4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1
InChIInChI=1S/C18H13Cl2N3O2S/c1-10(24)21-13-5-2-11(3-6-13)17(25)23-18-22-16(9-26-18)14-7-4-12(19)8-15(14)20/h2-9H,1H3,(H,21,24)(H,22,23,25)
InChIKeyAGMMQMFUFIVUSP-UHFFFAOYSA-N
XLogP5.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.29
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 112763465
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30289420
N-[4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 13219372
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19181152
2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26117136
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
4-[bis(prop-2-enyl)sulfamoyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5105347
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24556422

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide (CID 4844502) is 4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is AGMMQMFUFIVUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S/c1-10(24)21-13-5-2-11(3-6-13)17(25)23-18-22-16(9-26-18)14-7-4-12(19)8-15(14)20/h2-9H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide?
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 406.29 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4844502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).