methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline

C14H21N4S+ — CID 159162434

IUPACmethane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
SMILESC.Cc1cc(N(C)C)ccc1/N=N/c1scc[n+]1C
InChIInChI=1S/C13H17N4S.CH4/c1-10-9-11(16(2)3)5-6-12(10)14-15-13-17(4)7-8-18-13;/h5-9H,1-4H3;1H4/q+1;
InChIKeyKKQUHYPDKFOFJU-UHFFFAOYSA-N
MW277.42 g/mol
LogP4.00
Rot. Bonds3

About methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline

methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline (PubChem CID 159162434) has the molecular formula C14H21N4S+ and a molecular weight of 277.42 g/mol. Its IUPAC name is methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline.

Molecular Properties

Compound Namemethane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
PubChem CID159162434
Molecular FormulaC14H21N4S+
Molecular Weight277.42 g/mol
Exact Mass277.15
IUPAC Namemethane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
SMILESC.Cc1cc(N(C)C)ccc1/N=N/c1scc[n+]1C
InChIInChI=1S/C13H17N4S.CH4/c1-10-9-11(16(2)3)5-6-12(10)14-15-13-17(4)7-8-18-13;/h5-9H,1-4H3;1H4/q+1;
InChIKeyKKQUHYPDKFOFJU-UHFFFAOYSA-N
XLogP4.00
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

3-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 90955743
2-[2-[[4-(dimethylamino)-2-methylphenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]acetic acid
CID 59327701
N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 59207782
N,N'-bis[3-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine dibromide
CID 130422007
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
N,N-diethyl-3-methoxy-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 58992044
3-[2-[2-[N-[2-[2-[2-(2,3-dihydroxypropoxy)ethoxy]ethoxy]ethyl]-3-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]anilino]ethoxy]ethoxy]propane-1,2-diol
CID 59207801
N-benzyl-4-[(3-ethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N,3-dimethylaniline
CID 59207781
N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide
CID 102191514
N,N'-dimethyl-N,N'-bis[4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]pentane-1,5-diamine
CID 121364421
carbanide;N,N'-dimethyl-N,N'-bis[2-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine
CID 160893105
carbanide;N,N'-dimethyl-N,N'-bis[2-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]butane-1,4-diamine
CID 160676728

Frequently Asked Questions

What is the IUPAC name of methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline?
The IUPAC name of methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline (CID 159162434) is methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline.
What is the SMILES notation for methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline?
The canonical SMILES for methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline is C.Cc1cc(N(C)C)ccc1/N=N/c1scc[n+]1C.
What is the InChIKey of methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline?
The InChIKey is KKQUHYPDKFOFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N4S.CH4/c1-10-9-11(16(2)3)5-6-12(10)14-15-13-17(4)7-8-18-13;/h5-9H,1-4H3;1H4/q+1;.
What are the key properties of methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline?
methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline has a molecular weight of 277.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline is sourced from PubChem (CID 159162434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).