N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide

C21H20N4O2S — CID 9058831

IUPACN-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide
SMILESCC(=O)N(c1nc(/C=N\NC(=O)c2ccccc2)cs1)c1cccc(C)c1C
InChIInChI=1S/C21H20N4O2S/c1-14-8-7-11-19(15(14)2)25(16(3)26)21-23-18(13-28-21)12-22-24-20(27)17-9-5-4-6-10-17/h4-13H,1-3H3,(H,24,27)/b22-12-
InChIKeyVDZAUZQJBFJWES-UUYOSTAYSA-N
MW392.48 g/mol
LogP4.21
Rot. Bonds5

About N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide

N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide (PubChem CID 9058831) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide
PubChem CID9058831
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide
SMILESCC(=O)N(c1nc(/C=N\NC(=O)c2ccccc2)cs1)c1cccc(C)c1C
InChIInChI=1S/C21H20N4O2S/c1-14-8-7-11-19(15(14)2)25(16(3)26)21-23-18(13-28-21)12-22-24-20(27)17-9-5-4-6-10-17/h4-13H,1-3H3,(H,24,27)/b22-12-
InChIKeyVDZAUZQJBFJWES-UUYOSTAYSA-N
XLogP4.21
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 9072974
N-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-chlorobenzamide
CID 9060219
N'-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]oxamide
CID 9120876
N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175216
N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-fluorobenzamide
CID 9016676
N-[(Z)-[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 9077876
N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 9351271
ethyl N-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]carbamate
CID 9076028
N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17494852
N'-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351884
N-[(Z)-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methylideneamino]acetamide
CID 9073997
N-[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 9013582

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide?
The IUPAC name of N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide (CID 9058831) is N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide is CC(=O)N(c1nc(/C=N\NC(=O)c2ccccc2)cs1)c1cccc(C)c1C.
What is the InChIKey of N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide?
The InChIKey is VDZAUZQJBFJWES-UUYOSTAYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14-8-7-11-19(15(14)2)25(16(3)26)21-23-18(13-28-21)12-22-24-20(27)17-9-5-4-6-10-17/h4-13H,1-3H3,(H,24,27)/b22-12-.
What are the key properties of N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide?
N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide has a molecular weight of 392.48 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide is sourced from PubChem (CID 9058831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).