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

C18H13N3O2S — CID 2311776

IUPAC1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
SMILESCOc1ccc2nc(/N=N/c3c(O)ccc4ccccc34)sc2c1
InChIInChI=1S/C18H13N3O2S/c1-23-12-7-8-14-16(10-12)24-18(19-14)21-20-17-13-5-3-2-4-11(13)6-9-15(17)22/h2-10,22H,1H3/b21-20+
InChIKeyMPIBXZYNRVPXKA-QZQOTICOSA-N
MW335.39 g/mol
LogP5.58
Rot. Bonds3

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

1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol (PubChem CID 2311776) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
PubChem CID2311776
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
SMILESCOc1ccc2nc(/N=N/c3c(O)ccc4ccccc34)sc2c1
InChIInChI=1S/C18H13N3O2S/c1-23-12-7-8-14-16(10-12)24-18(19-14)21-20-17-13-5-3-2-4-11(13)6-9-15(17)22/h2-10,22H,1H3/b21-20+
InChIKeyMPIBXZYNRVPXKA-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'}

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Related Compounds

6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
CID 57312880
5-(1,3-benzothiazol-2-yldiazenyl)-6-hydroxynaphthalene-2-sulfonic acid
CID 171384167
4-(1,3-benzothiazol-2-yldiazenyl)-2,3-dichloro-5-methoxyphenol
CID 137184565
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 43952122
[4-[(6-fluoro-1,3-benzothiazol-2-yl)diazenyl]naphthalen-1-yl] 4-methoxybenzoate
CID 102448930
N'-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methylphenyl)benzenecarboximidamide
CID 56730349
4-(1,3-benzothiazol-2-yldiazenyl)-2-methylnaphthalene-1,3-diol
CID 135436607
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
1-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-(4-methoxyphenyl)methyl]naphthalen-2-ol
CID 71741177
1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol
CID 137185564
4-[(5-methoxy-1,3-benzothiazol-2-yl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744066

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol (CID 2311776) is 1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol is COc1ccc2nc(/N=N/c3c(O)ccc4ccccc34)sc2c1.
What is the InChIKey of 1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol?
The InChIKey is MPIBXZYNRVPXKA-QZQOTICOSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-23-12-7-8-14-16(10-12)24-18(19-14)21-20-17-13-5-3-2-4-11(13)6-9-15(17)22/h2-10,22H,1H3/b21-20+.
What are the key properties of 1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol?
1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-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 1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 2311776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).