5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine

C11H11N5OS — CID 131963674

IUPAC5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCNc2nc3ccccc3s2)o1
InChIInChI=1S/C11H11N5OS/c12-10-16-15-9(17-10)5-6-13-11-14-7-3-1-2-4-8(7)18-11/h1-4H,5-6H2,(H2,12,16)(H,13,14)
InChIKeyUZRSIORJYZYIMZ-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.92
Rot. Bonds4

About 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine

5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 131963674) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID131963674
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCNc2nc3ccccc3s2)o1
InChIInChI=1S/C11H11N5OS/c12-10-16-15-9(17-10)5-6-13-11-14-7-3-1-2-4-8(7)18-11/h1-4H,5-6H2,(H2,12,16)(H,13,14)
InChIKeyUZRSIORJYZYIMZ-UHFFFAOYSA-N
XLogP1.92
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 131963674) is 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(CCNc2nc3ccccc3s2)o1.
What is the InChIKey of 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UZRSIORJYZYIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c12-10-16-15-9(17-10)5-6-13-11-14-7-3-1-2-4-8(7)18-11/h1-4H,5-6H2,(H2,12,16)(H,13,14).
What are the key properties of 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine?
5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 261.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 131963674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).