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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Related Compounds

Amino-6-ethoxybenzothiazole, 2-
CID 7192
6-Phenoxybenzo[d]thiazol-2-amine
CID 2344996
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
4-[(2-Azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile
CID 137628304
4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylnaphthalen-1-amine
CID 19596882
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylmethanesulfonamide
CID 2205532
(E)-1-(2-(6-methoxybenzo[d]thiazol-2-yl)hydrazono)naphthalen-2(1H)-one
CID 2311776
4-(6-Methoxy-benzothiazol-2-ylazo)-naphthalen-1-ol
CID 3135557
6-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amino]-ethyl}-benzothiazol-2-ylamine
CID 10643571
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-(1-naphthyl)urea
CID 1225805
6-[(2-Amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine
CID 765835
6-(Benzyloxy)benzo[d]thiazol-2-amine
CID 17244953

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).