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

C14H10N4OS — CID 797121

IUPAC2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc4nc(N)sc4c3)nc2c1
InChIInChI=1S/C14H10N4OS/c15-8-2-4-11-10(6-8)17-13(19-11)7-1-3-9-12(5-7)20-14(16)18-9/h1-6H,15H2,(H2,16,18)
InChIKeyQWSDFTMKQIMRKB-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.27
Rot. Bonds1

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

2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine (PubChem CID 797121) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine
PubChem CID797121
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine
SMILESNc1ccc2oc(-c3ccc4nc(N)sc4c3)nc2c1
InChIInChI=1S/C14H10N4OS/c15-8-2-4-11-10(6-8)17-13(19-11)7-1-3-9-12(5-7)20-14(16)18-9/h1-6H,15H2,(H2,16,18)
InChIKeyQWSDFTMKQIMRKB-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

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-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine (CID 797121) is 2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine is Nc1ccc2oc(-c3ccc4nc(N)sc4c3)nc2c1.
What is the InChIKey of 2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine?
The InChIKey is QWSDFTMKQIMRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-8-2-4-11-10(6-8)17-13(19-11)7-1-3-9-12(5-7)20-14(16)18-9/h1-6H,15H2,(H2,16,18).
What are the key properties of 2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine?
2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-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 2-(2-amino-1,3-benzothiazol-6-yl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 797121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).