4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline

C15H14N4S — CID 12755122

IUPAC4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N4S/c1-19(2)12-9-7-11(8-10-12)17-18-15-16-13-5-3-4-6-14(13)20-15/h3-10H,1-2H3/b18-17+
InChIKeyXEZYAUBFSFAVEP-ISLYRVAYSA-N
MW282.37 g/mol
LogP4.78
Rot. Bonds3

About 4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline

4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline (PubChem CID 12755122) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline
PubChem CID12755122
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2nc3ccccc3s2)cc1
InChIInChI=1S/C15H14N4S/c1-19(2)12-9-7-11(8-10-12)17-18-15-16-13-5-3-4-6-14(13)20-15/h3-10H,1-2H3/b18-17+
InChIKeyXEZYAUBFSFAVEP-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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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline (CID 12755122) is 4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline is CN(C)c1ccc(/N=N/c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline?
The InChIKey is XEZYAUBFSFAVEP-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-19(2)12-9-7-11(8-10-12)17-18-15-16-13-5-3-4-6-14(13)20-15/h3-10H,1-2H3/b18-17+.
What are the key properties of 4-(1,3-benzothiazol-2-yldiazenyl)-N,N-dimethylaniline?
4-(1,3-benzothiazol-2-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-2-yldiazenyl)-N,N-dimethylaniline is sourced from PubChem (CID 12755122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).