N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide

C16H22N5OS+ — CID 102191514

IUPACN-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide
SMILESCCN(CC)c1ccc(/N=N/c2scc[n+]2C)c(NC(C)=O)c1
InChIInChI=1S/C16H21N5OS/c1-5-21(6-2)13-7-8-14(15(11-13)17-12(3)22)18-19-16-20(4)9-10-23-16/h7-11H,5-6H2,1-4H3/p+1
InChIKeyUBBXVZMDODVRLX-UHFFFAOYSA-O
MW332.45 g/mol
LogP3.79
Rot. Bonds6

About N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide

N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide (PubChem CID 102191514) has the molecular formula C16H22N5OS+ and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide
PubChem CID102191514
Molecular FormulaC16H22N5OS+
Molecular Weight332.45 g/mol
Exact Mass332.15
IUPAC NameN-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide
SMILESCCN(CC)c1ccc(/N=N/c2scc[n+]2C)c(NC(C)=O)c1
InChIInChI=1S/C16H21N5OS/c1-5-21(6-2)13-7-8-14(15(11-13)17-12(3)22)18-19-16-20(4)9-10-23-16/h7-11H,5-6H2,1-4H3/p+1
InChIKeyUBBXVZMDODVRLX-UHFFFAOYSA-O
XLogP3.79
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-methoxy-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 58992044
zinc;bis(N,N-diethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline);tetrachloride
CID 138400967
N-ethyl-3-methyl-N-[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 59207762
dimethyl 4-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-3-nitrobenzene-1,2-dicarboxylate
CID 71558290
N-[5-(dimethylamino)-2-[(1-ethylpyridin-1-ium-2-yl)diazenyl]phenyl]acetamide
CID 22957510
N-[5-(diethylamino)-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]acetamide
CID 3019660
methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 159162434
N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide
CID 10994155
N-ethyl-N-[2-[2-[N-ethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 121364382
N-[5-(diethylamino)-2-[(4,6-dimethyl-1,3,5-triazin-2-yl)diazenyl]phenyl]benzamide
CID 59943104
N-[2-[(5-amino-1-ethylpyrazol-1-ium-4-ylidene)amino]-5-(diethylamino)phenyl]acetamide
CID 69223338
N-[2-[[2-acetamido-4-(diethylamino)phenyl]-[4-(diethylamino)-2-methylphenyl]methyl]-5-(diethylamino)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide?
The IUPAC name of N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide (CID 102191514) is N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide?
The canonical SMILES for N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide is CCN(CC)c1ccc(/N=N/c2scc[n+]2C)c(NC(C)=O)c1.
What is the InChIKey of N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide?
The InChIKey is UBBXVZMDODVRLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N5OS/c1-5-21(6-2)13-7-8-14(15(11-13)17-12(3)22)18-19-16-20(4)9-10-23-16/h7-11H,5-6H2,1-4H3/p+1.
What are the key properties of N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide?
N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide is sourced from PubChem (CID 102191514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).