N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide

C16H18N6OS — CID 20609501

IUPACN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide
SMILESCCN(C)c1ccc(/N=N/c2snc(C)c2C#N)c(NC(C)=O)c1
InChIInChI=1S/C16H18N6OS/c1-5-22(4)12-6-7-14(15(8-12)18-11(3)23)19-20-16-13(9-17)10(2)21-24-16/h6-8H,5H2,1-4H3,(H,18,23)/b20-19+
InChIKeyXAGUNLPNSUCENM-FMQUCBEESA-N
MW342.43 g/mol
LogP4.15
Rot. Bonds5

About N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide

N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide (PubChem CID 20609501) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide
PubChem CID20609501
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide
SMILESCCN(C)c1ccc(/N=N/c2snc(C)c2C#N)c(NC(C)=O)c1
InChIInChI=1S/C16H18N6OS/c1-5-22(4)12-6-7-14(15(8-12)18-11(3)23)19-20-16-13(9-17)10(2)21-24-16/h6-8H,5H2,1-4H3,(H,18,23)/b20-19+
InChIKeyXAGUNLPNSUCENM-FMQUCBEESA-N
XLogP4.15
TPSA93.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide?
The IUPAC name of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide (CID 20609501) is N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide is CCN(C)c1ccc(/N=N/c2snc(C)c2C#N)c(NC(C)=O)c1.
What is the InChIKey of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide?
The InChIKey is XAGUNLPNSUCENM-FMQUCBEESA-N. The full InChI is InChI=1S/C16H18N6OS/c1-5-22(4)12-6-7-14(15(8-12)18-11(3)23)19-20-16-13(9-17)10(2)21-24-16/h6-8H,5H2,1-4H3,(H,18,23)/b20-19+.
What are the key properties of N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide?
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-[ethyl(methyl)amino]phenyl]acetamide has a molecular weight of 342.43 g/mol, XLogP of 4.15, 5 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-[ethyl(methyl)amino]phenyl]acetamide is sourced from PubChem (CID 20609501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).