6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine

C13H8N4O2S — CID 65348489

IUPAC6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3nc(-c4ccoc4)no3)cc2s1
InChIInChI=1S/C13H8N4O2S/c14-13-15-9-2-1-7(5-10(9)20-13)12-16-11(17-19-12)8-3-4-18-6-8/h1-6H,(H2,14,15)
InChIKeyBCZSUABWUVXQRY-UHFFFAOYSA-N
MW284.30 g/mol
LogP3.19
Rot. Bonds2

About 6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine

6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine (PubChem CID 65348489) has the molecular formula C13H8N4O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is 6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
PubChem CID65348489
Molecular FormulaC13H8N4O2S
Molecular Weight284.30 g/mol
Exact Mass284.04
IUPAC Name6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3nc(-c4ccoc4)no3)cc2s1
InChIInChI=1S/C13H8N4O2S/c14-13-15-9-2-1-7(5-10(9)20-13)12-16-11(17-19-12)8-3-4-18-6-8/h1-6H,(H2,14,15)
InChIKeyBCZSUABWUVXQRY-UHFFFAOYSA-N
XLogP3.19
TPSA90.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine (CID 65348489) is 6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3nc(-c4ccoc4)no3)cc2s1.
What is the InChIKey of 6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
The InChIKey is BCZSUABWUVXQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O2S/c14-13-15-9-2-1-7(5-10(9)20-13)12-16-11(17-19-12)8-3-4-18-6-8/h1-6H,(H2,14,15).
What are the key properties of 6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine?
6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine has a molecular weight of 284.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).