1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol

C17H12N2OS — CID 137058100

IUPAC1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol
SMILESNc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12
InChIInChI=1S/C17H12N2OS/c18-15-11-6-2-1-5-10(11)9-12(16(15)20)17-19-13-7-3-4-8-14(13)21-17/h1-9,20H,18H2
InChIKeyIIJYBOSVYQGRSV-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.40
Rot. Bonds1

About 1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol

1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol (PubChem CID 137058100) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol
PubChem CID137058100
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol
SMILESNc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12
InChIInChI=1S/C17H12N2OS/c18-15-11-6-2-1-5-10(11)9-12(16(15)20)17-19-13-7-3-4-8-14(13)21-17/h1-9,20H,18H2
InChIKeyIIJYBOSVYQGRSV-UHFFFAOYSA-N
XLogP4.40
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol?
The IUPAC name of 1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol (CID 137058100) is 1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol?
The canonical SMILES for 1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol is Nc1c(O)c(-c2nc3ccccc3s2)cc2ccccc12.
What is the InChIKey of 1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol?
The InChIKey is IIJYBOSVYQGRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c18-15-11-6-2-1-5-10(11)9-12(16(15)20)17-19-13-7-3-4-8-14(13)21-17/h1-9,20H,18H2.
What are the key properties of 1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol?
1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol has a molecular weight of 292.36 g/mol, XLogP of 4.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,3-benzothiazol-2-yl)naphthalen-2-ol is sourced from PubChem (CID 137058100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).