N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide

C20H26N6OS — CID 59197134

IUPACN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(/N=N/c2snc(C)c2C#N)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H26N6OS/c1-7-26(8-2)14-9-10-16(17(11-14)22-19(27)20(4,5)6)23-24-18-15(12-21)13(3)25-28-18/h9-11H,7-8H2,1-6H3,(H,22,27)/b24-23+
InChIKeyAXDJJMBXIBZGBT-WCWDXBQESA-N
MW398.54 g/mol
LogP5.57
Rot. Bonds6

About N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide

N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide (PubChem CID 59197134) has the molecular formula C20H26N6OS and a molecular weight of 398.54 g/mol. Its IUPAC name is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide
PubChem CID59197134
Molecular FormulaC20H26N6OS
Molecular Weight398.54 g/mol
Exact Mass398.19
IUPAC NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(/N=N/c2snc(C)c2C#N)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H26N6OS/c1-7-26(8-2)14-9-10-16(17(11-14)22-19(27)20(4,5)6)23-24-18-15(12-21)13(3)25-28-18/h9-11H,7-8H2,1-6H3,(H,22,27)/b24-23+
InChIKeyAXDJJMBXIBZGBT-WCWDXBQESA-N
XLogP5.57
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 55.57
H-Bond Donors ≤ 51
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

N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide
CID 89099976
2-[3-acetamido-4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]anilino]ethyl 2-methylprop-2-enoate
CID 122674501
4-[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethyl-3-methylanilino]butanoate
CID 20846238
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide;2-[5-(dimethylamino)-3-oxo-2H-pyrrol-4-ylidene]-2-[4-(dimethylamino)phenyl]acetonitrile
CID 54057253
2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate
CID 154510979
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(1-phenylbutan-2-yl)phenyl]acetamide
CID 59992766
2-[N-(2-acetyloxyethyl)-4-[[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-3-methylanilino]ethyl acetate
CID 165365411
N-[2-[(3-cyano-5-nitrothiophen-2-yl)diazenyl]-5-(diethylamino)phenyl]propanamide
CID 139603167
5-[4-cyano-5-[[2-[[4-[2-[[4-cyano-3-(4-methyl-3-sulfophenyl)-1,2-thiazol-5-yl]diazenyl]-5-(diethylamino)anilino]-6-(2-sulfoethylsulfanyl)-1,3,5-triazin-2-yl]amino]-4-(diethylamino)phenyl]diazenyl]-1,2-thiazol-3-yl]-2-methylbenzenesulfonic acid
CID 118492829
N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide
CID 59703116
N-[2-[[3-tert-butyl-4-cyano-1-(2,6-dichloro-4-formamidophenyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide
CID 89321861
N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide
CID 59943104

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide (CID 59197134) is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide is CCN(CC)c1ccc(/N=N/c2snc(C)c2C#N)c(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide?
The InChIKey is AXDJJMBXIBZGBT-WCWDXBQESA-N. The full InChI is InChI=1S/C20H26N6OS/c1-7-26(8-2)14-9-10-16(17(11-14)22-19(27)20(4,5)6)23-24-18-15(12-21)13(3)25-28-18/h9-11H,7-8H2,1-6H3,(H,22,27)/b24-23+.
What are the key properties of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide?
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide has a molecular weight of 398.54 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 59197134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).