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

C14H9N3OS — CID 810326

IUPAC6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3nc4ccccc4o3)cc2s1
InChIInChI=1S/C14H9N3OS/c15-14-17-10-6-5-8(7-12(10)19-14)13-16-9-3-1-2-4-11(9)18-13/h1-7H,(H2,15,17)
InChIKeyMDRFRNBHBAVMDP-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.69
Rot. Bonds1

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

6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 810326) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID810326
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3nc4ccccc4o3)cc2s1
InChIInChI=1S/C14H9N3OS/c15-14-17-10-6-5-8(7-12(10)19-14)13-16-9-3-1-2-4-11(9)18-13/h1-7H,(H2,15,17)
InChIKeyMDRFRNBHBAVMDP-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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine (CID 810326) is 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1.
What is the InChIKey of 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is MDRFRNBHBAVMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c15-14-17-10-6-5-8(7-12(10)19-14)13-16-9-3-1-2-4-11(9)18-13/h1-7H,(H2,15,17).
What are the key properties of 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine?
6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-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 6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 810326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).