6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine

C14H10N4OS2 — CID 765835

IUPAC6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3ccc4nc(N)sc4c3)cc2s1
InChIInChI=1S/C14H10N4OS2/c15-13-17-9-3-1-7(5-11(9)20-13)19-8-2-4-10-12(6-8)21-14(16)18-10/h1-6H,(H2,15,17)(H2,16,18)
InChIKeyGCKXATWVQDPCKS-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.86
Rot. Bonds2

About 6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine

6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine (PubChem CID 765835) has the molecular formula C14H10N4OS2 and a molecular weight of 314.40 g/mol. Its IUPAC name is 6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine
PubChem CID765835
Molecular FormulaC14H10N4OS2
Molecular Weight314.40 g/mol
Exact Mass314.03
IUPAC Name6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(Oc3ccc4nc(N)sc4c3)cc2s1
InChIInChI=1S/C14H10N4OS2/c15-13-17-9-3-1-7(5-11(9)20-13)19-8-2-4-10-12(6-8)21-14(16)18-10/h1-6H,(H2,15,17)(H2,16,18)
InChIKeyGCKXATWVQDPCKS-UHFFFAOYSA-N
XLogP3.86
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine (CID 765835) is 6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine is Nc1nc2ccc(Oc3ccc4nc(N)sc4c3)cc2s1.
What is the InChIKey of 6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine?
The InChIKey is GCKXATWVQDPCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS2/c15-13-17-9-3-1-7(5-11(9)20-13)19-8-2-4-10-12(6-8)21-14(16)18-10/h1-6H,(H2,15,17)(H2,16,18).
What are the key properties of 6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine?
6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine has a molecular weight of 314.40 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-1,3-benzothiazol-6-yl)oxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 765835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).