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

C14H10N4OS — CID 88971175

IUPAC5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4nc(N)sc4c3)ccc2o1
InChIInChI=1S/C14H10N4OS/c15-13-17-10-5-7(2-4-11(10)19-13)8-1-3-9-12(6-8)20-14(16)18-9/h1-6H,(H2,15,17)(H2,16,18)
InChIKeyHWBZEBPNEKATFX-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.27
Rot. Bonds1

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

5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine (PubChem CID 88971175) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine
PubChem CID88971175
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3ccc4nc(N)sc4c3)ccc2o1
InChIInChI=1S/C14H10N4OS/c15-13-17-10-5-7(2-4-11(10)19-13)8-1-3-9-12(6-8)20-14(16)18-9/h1-6H,(H2,15,17)(H2,16,18)
InChIKeyHWBZEBPNEKATFX-UHFFFAOYSA-N
XLogP3.27
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine (CID 88971175) is 5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4nc(N)sc4c3)ccc2o1.
What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine?
The InChIKey is HWBZEBPNEKATFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-13-17-10-5-7(2-4-11(10)19-13)8-1-3-9-12(6-8)20-14(16)18-9/h1-6H,(H2,15,17)(H2,16,18).
What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine?
5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine has a molecular weight of 282.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 88971175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).