2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate

C17H19N5O2S — CID 154510979

IUPAC2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate
SMILESCCN(CCOC(C)=O)c1ccccc1/N=N/c1snc(C)c1C#N
InChIInChI=1S/C17H19N5O2S/c1-4-22(9-10-24-13(3)23)16-8-6-5-7-15(16)19-20-17-14(11-18)12(2)21-25-17/h5-8H,4,9-10H2,1-3H3/b20-19+
InChIKeyBAKQOAFSJPHAHI-FMQUCBEESA-N
MW357.44 g/mol
LogP4.13
Rot. Bonds7

About 2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate

2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate (PubChem CID 154510979) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate.

Molecular Properties

Compound Name2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate
PubChem CID154510979
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate
SMILESCCN(CCOC(C)=O)c1ccccc1/N=N/c1snc(C)c1C#N
InChIInChI=1S/C17H19N5O2S/c1-4-22(9-10-24-13(3)23)16-8-6-5-7-15(16)19-20-17-14(11-18)12(2)21-25-17/h5-8H,4,9-10H2,1-3H3/b20-19+
InChIKeyBAKQOAFSJPHAHI-FMQUCBEESA-N
XLogP4.13
TPSA90.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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
2-[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 122674496
N-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-5-(diethylamino)phenyl]-2,2-dimethylpropanamide
CID 59197134
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-(diethylamino)phenyl]pentanamide
CID 89099976
N-[5-[benzyl(methyl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide
CID 89099980
N-[5-amino-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide;2-(2-methylprop-2-enoyloxy)ethyl 4-methylbenzoate
CID 157121538
2-[N-(2-acetyloxyethyl)-4-(2,6-diamino-5-cyanopyrimidin-4-yl)anilino]ethyl acetate
CID 169398358
5-[[4-(dimethylamino)-2-hydroxy-3-(1,2,4-thiadiazol-5-yldiazenyl)phenyl]diazenyl]-3-methyl-1,2-thiazole-4-carbonitrile
CID 169013748
2-(N-decylanilino)ethyl acetate
CID 70658915
2-[N-(2-acetyloxyethyl)-4-[[3-cyano-5-[(4-nitrophenyl)diazenyl]thiophen-2-yl]diazenyl]anilino]ethyl acetate
CID 14178295

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate?
The IUPAC name of 2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate (CID 154510979) is 2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate.
What is the SMILES notation for 2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate?
The canonical SMILES for 2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate is CCN(CCOC(C)=O)c1ccccc1/N=N/c1snc(C)c1C#N.
What is the InChIKey of 2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate?
The InChIKey is BAKQOAFSJPHAHI-FMQUCBEESA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-4-22(9-10-24-13(3)23)16-8-6-5-7-15(16)19-20-17-14(11-18)12(2)21-25-17/h5-8H,4,9-10H2,1-3H3/b20-19+.
What are the key properties of 2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate?
2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate has a molecular weight of 357.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]-N-ethylanilino]ethyl acetate is sourced from PubChem (CID 154510979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).