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

C20H26N6OS — CID 89099976

IUPACN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(N(CC)CC)ccc1/N=N/c1snc(C)c1C#N
InChIInChI=1S/C20H26N6OS/c1-5-8-9-19(27)22-18-12-15(26(6-2)7-3)10-11-17(18)23-24-20-16(13-21)14(4)25-28-20/h10-12H,5-9H2,1-4H3,(H,22,27)/b24-23+
InChIKeyQXRUVRQEPSYVQZ-WCWDXBQESA-N
MW398.54 g/mol
LogP5.71
Rot. Bonds9

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

N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide (PubChem CID 89099976) 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]pentanamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide
PubChem CID89099976
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]pentanamide
SMILESCCCCC(=O)Nc1cc(N(CC)CC)ccc1/N=N/c1snc(C)c1C#N
InChIInChI=1S/C20H26N6OS/c1-5-8-9-19(27)22-18-12-15(26(6-2)7-3)10-11-17(18)23-24-20-16(13-21)14(4)25-28-20/h10-12H,5-9H2,1-4H3,(H,22,27)/b24-23+
InChIKeyQXRUVRQEPSYVQZ-WCWDXBQESA-N
XLogP5.71
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 55.71
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'}

Analyze N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide
CID 59197134
4-[4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethyl-3-methylanilino]butanoate
CID 20846238
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
N-[2-[(3-cyano-5-nitrothiophen-2-yl)diazenyl]-5-(diethylamino)phenyl]propanamide
CID 139603167
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
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(1-phenylbutan-2-yl)phenyl]acetamide
CID 59992766
3-[4-[(5-amino-3-cyanothiophen-2-yl)diazenyl]-N-ethyl-3-(3-prop-2-enoyloxypropanoylamino)anilino]propyl prop-2-enoate
CID 137315473
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
CID 113001639
2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate
CID 154510979
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide
CID 59703116
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide?
The IUPAC name of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide (CID 89099976) is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide.
What is the SMILES notation for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide?
The canonical SMILES for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide is CCCCC(=O)Nc1cc(N(CC)CC)ccc1/N=N/c1snc(C)c1C#N.
What is the InChIKey of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide?
The InChIKey is QXRUVRQEPSYVQZ-WCWDXBQESA-N. The full InChI is InChI=1S/C20H26N6OS/c1-5-8-9-19(27)22-18-12-15(26(6-2)7-3)10-11-17(18)23-24-20-16(13-21)14(4)25-28-20/h10-12H,5-9H2,1-4H3,(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]pentanamide?
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]pentanamide has a molecular weight of 398.54 g/mol, XLogP of 5.71, 9 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]pentanamide is sourced from PubChem (CID 89099976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).