6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine

C17H12N2OS — CID 91679953

IUPAC6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3cccc4ccccc34)cc2s1
InChIInChI=1S/C17H12N2OS/c18-17-19-14-9-8-12(10-16(14)21-17)20-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H2,18,19)
InChIKeyPSBUGUVXXAABPQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.82
Rot. Bonds2

About 6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine

6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine (PubChem CID 91679953) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine
PubChem CID91679953
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3cccc4ccccc34)cc2s1
InChIInChI=1S/C17H12N2OS/c18-17-19-14-9-8-12(10-16(14)21-17)20-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H2,18,19)
InChIKeyPSBUGUVXXAABPQ-UHFFFAOYSA-N
XLogP4.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine?
The IUPAC name of 6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine (CID 91679953) is 6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine is Nc1nc2ccc(Oc3cccc4ccccc34)cc2s1.
What is the InChIKey of 6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine?
The InChIKey is PSBUGUVXXAABPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c18-17-19-14-9-8-12(10-16(14)21-17)20-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H2,18,19).
What are the key properties of 6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine?
6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine has a molecular weight of 292.36 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 91679953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).