2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide

C22H24N4O2S — CID 56504272

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)Cc2csc(Cc3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H24N4O2S/c1-15-8-9-19(16(2)10-15)23-13-21(28)26-25-20(27)12-18-14-29-22(24-18)11-17-6-4-3-5-7-17/h3-10,14,23H,11-13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyIRMKSTXSYJOGJN-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.15
Rot. Bonds7

About 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide

2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide (PubChem CID 56504272) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
PubChem CID56504272
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)Cc2csc(Cc3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H24N4O2S/c1-15-8-9-19(16(2)10-15)23-13-21(28)26-25-20(27)12-18-14-29-22(24-18)11-17-6-4-3-5-7-17/h3-10,14,23H,11-13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyIRMKSTXSYJOGJN-UHFFFAOYSA-N
XLogP3.15
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-bromo-4-methylphenyl)acetamide
CID 55671045
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 38700582
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
N-(2,4-dimethylphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389560
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
N'-[2-(2,4-dimethylanilino)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 55439956
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 38858056
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide (CID 56504272) is 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide is Cc1ccc(NCC(=O)NNC(=O)Cc2csc(Cc3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
The InChIKey is IRMKSTXSYJOGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-8-9-19(16(2)10-15)23-13-21(28)26-25-20(27)12-18-14-29-22(24-18)11-17-6-4-3-5-7-17/h3-10,14,23H,11-13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide has a molecular weight of 408.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide is sourced from PubChem (CID 56504272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).