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

C22H22N4O2S — CID 9175216

IUPACN-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=N\NC(=O)c2ccc(C)cc2)cs1
InChIInChI=1S/C22H22N4O2S/c1-14-5-8-18(9-6-14)21(28)25-23-12-19-13-29-22(24-19)26(17(4)27)20-10-7-15(2)16(3)11-20/h5-13H,1-4H3,(H,25,28)/b23-12-
InChIKeyJAGJUXNQJVGJRB-FMCGGJTJSA-N
MW406.51 g/mol
LogP4.52
Rot. Bonds5

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

N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide (PubChem CID 9175216) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
PubChem CID9175216
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=N\NC(=O)c2ccc(C)cc2)cs1
InChIInChI=1S/C22H22N4O2S/c1-14-5-8-18(9-6-14)21(28)25-23-12-19-13-29-22(24-19)26(17(4)27)20-10-7-15(2)16(3)11-20/h5-13H,1-4H3,(H,25,28)/b23-12-
InChIKeyJAGJUXNQJVGJRB-FMCGGJTJSA-N
XLogP4.52
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.52
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-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-fluorobenzamide
CID 9016676
N-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-1,3-thiazol-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 9017311
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 9076378
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-(3,4-dimethylphenyl)-N-[4-[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide
CID 8858240
N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide
CID 9058831
[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-methylbenzoate
CID 7695936
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 9012573
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 11935658
N-[(Z)-[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methylideneamino]acetamide
CID 9073997
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175195

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide (CID 9175216) is N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide is CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=N\NC(=O)c2ccc(C)cc2)cs1.
What is the InChIKey of N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide?
The InChIKey is JAGJUXNQJVGJRB-FMCGGJTJSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-14-5-8-18(9-6-14)21(28)25-23-12-19-13-29-22(24-19)26(17(4)27)20-10-7-15(2)16(3)11-20/h5-13H,1-4H3,(H,25,28)/b23-12-.
What are the key properties of N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide?
N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide has a molecular weight of 406.51 g/mol, XLogP of 4.52, 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-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 9175216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).