4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine

C20H18N4OS — CID 19596882

IUPAC4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine
SMILESCOc1ccc2nc(/N=N/c3ccc(N(C)C)c4ccccc34)sc2c1
InChIInChI=1S/C20H18N4OS/c1-24(2)18-11-10-16(14-6-4-5-7-15(14)18)22-23-20-21-17-9-8-13(25-3)12-19(17)26-20/h4-12H,1-3H3/b23-22+
InChIKeyVPSVMUSOVIOXIZ-GHVJWSGMSA-N
MW362.46 g/mol
LogP5.94
Rot. Bonds4

About 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine

4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine (PubChem CID 19596882) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine
PubChem CID19596882
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine
SMILESCOc1ccc2nc(/N=N/c3ccc(N(C)C)c4ccccc34)sc2c1
InChIInChI=1S/C20H18N4OS/c1-24(2)18-11-10-16(14-6-4-5-7-15(14)18)22-23-20-21-17-9-8-13(25-3)12-19(17)26-20/h4-12H,1-3H3/b23-22+
InChIKeyVPSVMUSOVIOXIZ-GHVJWSGMSA-N
XLogP5.94
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine (CID 19596882) is 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine is COc1ccc2nc(/N=N/c3ccc(N(C)C)c4ccccc34)sc2c1.
What is the InChIKey of 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine?
The InChIKey is VPSVMUSOVIOXIZ-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-24(2)18-11-10-16(14-6-4-5-7-15(14)18)22-23-20-21-17-9-8-13(25-3)12-19(17)26-20/h4-12H,1-3H3/b23-22+.
What are the key properties of 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine?
4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine has a molecular weight of 362.46 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 19596882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).