N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

C23H18N4OS — CID 57004238

IUPACN-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ccccc1)C(/N=N/c1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H18N4OS/c28-22(24-18-12-6-2-7-13-18)21(27-26-19-14-8-3-9-15-19)23-25-20(16-29-23)17-10-4-1-5-11-17/h1-16,21H,(H,24,28)/b27-26+
InChIKeyHICWFZBJDXABPH-CYYJNZCTSA-N
MW398.49 g/mol
LogP6.27
Rot. Bonds6

About N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide

N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 57004238) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID57004238
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC NameN-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ccccc1)C(/N=N/c1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H18N4OS/c28-22(24-18-12-6-2-7-13-18)21(27-26-19-14-8-3-9-15-19)23-25-20(16-29-23)17-10-4-1-5-11-17/h1-16,21H,(H,24,28)/b27-26+
InChIKeyHICWFZBJDXABPH-CYYJNZCTSA-N
XLogP6.27
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 97070615
(2R)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 97070616
2-(benzotriazol-1-yl)-N-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3724946
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673541

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 57004238) is N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(Nc1ccccc1)C(/N=N/c1ccccc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HICWFZBJDXABPH-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H18N4OS/c28-22(24-18-12-6-2-7-13-18)21(27-26-19-14-8-3-9-15-19)23-25-20(16-29-23)17-10-4-1-5-11-17/h1-16,21H,(H,24,28)/b27-26+.
What are the key properties of N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide?
N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 398.49 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-phenyldiazenyl-2-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 57004238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).