2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine

C14H9N3OS — CID 162666930

IUPAC2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc4ncsc4c3)nc2c1
InChIInChI=1S/C14H9N3OS/c15-9-2-4-12-11(6-9)17-14(18-12)8-1-3-10-13(5-8)19-7-16-10/h1-7H,15H2
InChIKeyIFNSYEGWFOIHDC-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.69
Rot. Bonds1

About 2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine

2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine (PubChem CID 162666930) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine
PubChem CID162666930
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc4ncsc4c3)nc2c1
InChIInChI=1S/C14H9N3OS/c15-9-2-4-12-11(6-9)17-14(18-12)8-1-3-10-13(5-8)19-7-16-10/h1-7H,15H2
InChIKeyIFNSYEGWFOIHDC-UHFFFAOYSA-N
XLogP3.69
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine (CID 162666930) is 2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(-c3ccc4ncsc4c3)nc2c1.
What is the InChIKey of 2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine?
The InChIKey is IFNSYEGWFOIHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c15-9-2-4-12-11(6-9)17-14(18-12)8-1-3-10-13(5-8)19-7-16-10/h1-7H,15H2.
What are the key properties of 2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine?
2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine has a molecular weight of 267.31 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 162666930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).