N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide

C22H20N6O2S — CID 155418136

IUPACN-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=N/c2c(C)[nH]n(Cc3nc(-c4ccccc4)cs3)c2=O)cc1
InChIInChI=1S/C22H20N6O2S/c1-14-21(26-25-18-10-8-17(9-11-18)23-15(2)29)22(30)28(27-14)12-20-24-19(13-31-20)16-6-4-3-5-7-16/h3-11,13,27H,12H2,1-2H3,(H,23,29)/b26-25+
InChIKeyKEAWVPDJTMFGDR-OCEACIFDSA-N
MW432.51 g/mol
LogP5.03
Rot. Bonds6

About N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide

N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide (PubChem CID 155418136) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide
PubChem CID155418136
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC NameN-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=N/c2c(C)[nH]n(Cc3nc(-c4ccccc4)cs3)c2=O)cc1
InChIInChI=1S/C22H20N6O2S/c1-14-21(26-25-18-10-8-17(9-11-18)23-15(2)29)22(30)28(27-14)12-20-24-19(13-31-20)16-6-4-3-5-7-16/h3-11,13,27H,12H2,1-2H3,(H,23,29)/b26-25+
InChIKeyKEAWVPDJTMFGDR-OCEACIFDSA-N
XLogP5.03
TPSA104.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate
CID 135830981
N-[4-[(2-carbamothioyl-3-oxo-5-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]acetamide
CID 1103535
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
4-[[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 4311906
5-methyl-4-[(3-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 2838724
1-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylic acid
CID 58127632
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-methylbenzamide
CID 110351792
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110423823
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide (CID 155418136) is N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide is CC(=O)Nc1ccc(/N=N/c2c(C)[nH]n(Cc3nc(-c4ccccc4)cs3)c2=O)cc1.
What is the InChIKey of N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide?
The InChIKey is KEAWVPDJTMFGDR-OCEACIFDSA-N. The full InChI is InChI=1S/C22H20N6O2S/c1-14-21(26-25-18-10-8-17(9-11-18)23-15(2)29)22(30)28(27-14)12-20-24-19(13-31-20)16-6-4-3-5-7-16/h3-11,13,27H,12H2,1-2H3,(H,23,29)/b26-25+.
What are the key properties of N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide?
N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide has a molecular weight of 432.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-methyl-3-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide is sourced from PubChem (CID 155418136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).