N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide

C25H22N4O2S — CID 168578363

IUPACN-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C25H22N4O2S/c1-18-11-13-21(14-12-18)27-24(30)16-31-23-10-6-5-9-20(23)15-26-29-25-28-22(17-32-25)19-7-3-2-4-8-19/h2-15,17H,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyLBSKHUFCLDKGNY-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.58
Rot. Bonds8

About N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide

N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 168578363) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID168578363
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC NameN-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C25H22N4O2S/c1-18-11-13-21(14-12-18)27-24(30)16-31-23-10-6-5-9-20(23)15-26-29-25-28-22(17-32-25)19-7-3-2-4-8-19/h2-15,17H,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyLBSKHUFCLDKGNY-UHFFFAOYSA-N
XLogP5.58
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 168579493
N-[(E)-[2-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzamide
CID 126368476
4-(2-anilino-1,3-thiazol-4-yl)-N-[(E)-[2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126262137
N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579344
N-(2-methoxyphenyl)-2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168618861
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159508
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-[2-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126279810
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126266830
N-benzyl-2-[4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168578353
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
4-(2-anilino-1,3-thiazol-4-yl)-N-[(E)-[3-bromo-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126269819
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 2715692

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide (CID 168578363) is N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccccc2C=NNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is LBSKHUFCLDKGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c1-18-11-13-21(14-12-18)27-24(30)16-31-23-10-6-5-9-20(23)15-26-29-25-28-22(17-32-25)19-7-3-2-4-8-19/h2-15,17H,16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide?
N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 442.54 g/mol, XLogP of 5.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 168578363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).