6-phenoxy-1,3-benzothiazol-2-amine

C13H10N2OS — CID 2344996

IUPAC6-phenoxy-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C13H10N2OS/c14-13-15-11-7-6-10(8-12(11)17-13)16-9-4-2-1-3-5-9/h1-8H,(H2,14,15)
InChIKeyAGCIBKULIKCGAH-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.67
Rot. Bonds2

About 6-phenoxy-1,3-benzothiazol-2-amine

6-phenoxy-1,3-benzothiazol-2-amine (PubChem CID 2344996) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-phenoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-phenoxy-1,3-benzothiazol-2-amine
PubChem CID2344996
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name6-phenoxy-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3ccccc3)cc2s1
InChIInChI=1S/C13H10N2OS/c14-13-15-11-7-6-10(8-12(11)17-13)16-9-4-2-1-3-5-9/h1-8H,(H2,14,15)
InChIKeyAGCIBKULIKCGAH-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 6-phenoxy-1,3-benzothiazol-2-amine (CID 2344996) is 6-phenoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-phenoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-phenoxy-1,3-benzothiazol-2-amine is Nc1nc2ccc(Oc3ccccc3)cc2s1.
What is the InChIKey of 6-phenoxy-1,3-benzothiazol-2-amine?
The InChIKey is AGCIBKULIKCGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-13-15-11-7-6-10(8-12(11)17-13)16-9-4-2-1-3-5-9/h1-8H,(H2,14,15).
What are the key properties of 6-phenoxy-1,3-benzothiazol-2-amine?
6-phenoxy-1,3-benzothiazol-2-amine has a molecular weight of 242.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 2344996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).