4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine

C11H11N5OS2 — CID 80656603

IUPAC4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(-c3cncs3)no2)cs1
InChIInChI=1S/C11H11N5OS2/c12-11-14-7(5-18-11)2-1-3-9-15-10(16-17-9)8-4-13-6-19-8/h4-6H,1-3H2,(H2,12,14)
InChIKeyODLUUBUQLCGURK-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.41
Rot. Bonds5

About 4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine

4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 80656603) has the molecular formula C11H11N5OS2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
PubChem CID80656603
Molecular FormulaC11H11N5OS2
Molecular Weight293.38 g/mol
Exact Mass293.04
IUPAC Name4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(-c3cncs3)no2)cs1
InChIInChI=1S/C11H11N5OS2/c12-11-14-7(5-18-11)2-1-3-9-15-10(16-17-9)8-4-13-6-19-8/h4-6H,1-3H2,(H2,12,14)
InChIKeyODLUUBUQLCGURK-UHFFFAOYSA-N
XLogP2.41
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (CID 80656603) is 4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is Nc1nc(CCCc2nc(-c3cncs3)no2)cs1.
What is the InChIKey of 4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is ODLUUBUQLCGURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS2/c12-11-14-7(5-18-11)2-1-3-9-15-10(16-17-9)8-4-13-6-19-8/h4-6H,1-3H2,(H2,12,14).
What are the key properties of 4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 293.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80656603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).