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

C14H12N2OS — CID 22106878

IUPAC6-phenylmethoxy-1,2-benzothiazol-3-amine
SMILESNc1nsc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C14H12N2OS/c15-14-12-7-6-11(8-13(12)18-16-14)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16)
InChIKeyRGLYKOYBLQUSSF-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.46
Rot. Bonds3

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

6-phenylmethoxy-1,2-benzothiazol-3-amine (PubChem CID 22106878) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-phenylmethoxy-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name6-phenylmethoxy-1,2-benzothiazol-3-amine
PubChem CID22106878
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name6-phenylmethoxy-1,2-benzothiazol-3-amine
SMILESNc1nsc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C14H12N2OS/c15-14-12-7-6-11(8-13(12)18-16-14)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16)
InChIKeyRGLYKOYBLQUSSF-UHFFFAOYSA-N
XLogP3.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1,2-benzothiazol-3-amine?
The IUPAC name of 6-phenylmethoxy-1,2-benzothiazol-3-amine (CID 22106878) is 6-phenylmethoxy-1,2-benzothiazol-3-amine.
What is the SMILES notation for 6-phenylmethoxy-1,2-benzothiazol-3-amine?
The canonical SMILES for 6-phenylmethoxy-1,2-benzothiazol-3-amine is Nc1nsc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 6-phenylmethoxy-1,2-benzothiazol-3-amine?
The InChIKey is RGLYKOYBLQUSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-14-12-7-6-11(8-13(12)18-16-14)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,16).
What are the key properties of 6-phenylmethoxy-1,2-benzothiazol-3-amine?
6-phenylmethoxy-1,2-benzothiazol-3-amine has a molecular weight of 256.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1,2-benzothiazol-3-amine is sourced from PubChem (CID 22106878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).