4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol

C18H13N3O2S — CID 3135557

IUPAC4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol
SMILESCOc1ccc2nc(/N=N/c3ccc(O)c4ccccc34)sc2c1
InChIInChI=1S/C18H13N3O2S/c1-23-11-6-7-15-17(10-11)24-18(19-15)21-20-14-8-9-16(22)13-5-3-2-4-12(13)14/h2-10,22H,1H3/b21-20+
InChIKeyAHQVSLCYCQPFFF-QZQOTICOSA-N
MW335.39 g/mol
LogP5.58
Rot. Bonds3

About 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol

4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol (PubChem CID 3135557) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol
PubChem CID3135557
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol
SMILESCOc1ccc2nc(/N=N/c3ccc(O)c4ccccc34)sc2c1
InChIInChI=1S/C18H13N3O2S/c1-23-11-6-7-15-17(10-11)24-18(19-15)21-20-14-8-9-16(22)13-5-3-2-4-12(13)14/h2-10,22H,1H3/b21-20+
InChIKeyAHQVSLCYCQPFFF-QZQOTICOSA-N
XLogP5.58
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.39
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol?
The IUPAC name of 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol (CID 3135557) is 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol is COc1ccc2nc(/N=N/c3ccc(O)c4ccccc34)sc2c1.
What is the InChIKey of 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol?
The InChIKey is AHQVSLCYCQPFFF-QZQOTICOSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-23-11-6-7-15-17(10-11)24-18(19-15)21-20-14-8-9-16(22)13-5-3-2-4-12(13)14/h2-10,22H,1H3/b21-20+.
What are the key properties of 4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol?
4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-ol has a molecular weight of 335.39 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 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]naphthalen-1-ol is sourced from PubChem (CID 3135557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).