4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline

C15H14N4S — CID 29080

IUPAC4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2ccc3ncsc3c2)cc1
InChIInChI=1S/C15H14N4S/c1-19(2)13-6-3-11(4-7-13)17-18-12-5-8-14-15(9-12)20-10-16-14/h3-10H,1-2H3/b18-17+
InChIKeyRRPLFUWADFBRTK-ISLYRVAYSA-N
MW282.37 g/mol
LogP4.78
Rot. Bonds3

About 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline

4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline (PubChem CID 29080) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline
PubChem CID29080
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2ccc3ncsc3c2)cc1
InChIInChI=1S/C15H14N4S/c1-19(2)13-6-3-11(4-7-13)17-18-12-5-8-14-15(9-12)20-10-16-14/h3-10H,1-2H3/b18-17+
InChIKeyRRPLFUWADFBRTK-ISLYRVAYSA-N
XLogP4.78
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

Benzothiazole
CID 7222
2-Benzothiazolyl diethyldithiocarbamate
CID 7229
6-Aminobenzothiazole
CID 68288
2-Methyl-1,3-benzothiazol-6-amine
CID 762831
Dithiazanine
CID 5473758
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium
CID 5709760
Benzothiazolium, 2-[2-(dimethylamino)ethenyl]-3-ethyl-, iodide
CID 2849359
Benzothiazolium, 3-ethyl-2-methyl-, iodide (1:1)
CID 2729630
Benzothiazolium, 3-methyl-, iodide (1:1)
CID 2735081
Benzothiazolium, 3-ethyl-, iodide (1:1)
CID 10017139
4-[(6-iodo-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylaniline
CID 70694381
Propanedinitrile, [[6-(dimethylamino)-2-benzothiazolyl]methylene]-
CID 12171847

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline (CID 29080) is 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline is CN(C)c1ccc(/N=N/c2ccc3ncsc3c2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline?
The InChIKey is RRPLFUWADFBRTK-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-19(2)13-6-3-11(4-7-13)17-18-12-5-8-14-15(9-12)20-10-16-14/h3-10H,1-2H3/b18-17+.
What are the key properties of 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline?
4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline has a molecular weight of 282.37 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline is sourced from PubChem (CID 29080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).