3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile

C8H8N6OS — CID 106412754

IUPAC3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C8H8N6OS/c9-3-5-7(10)14-16-8(5)11-2-1-6-12-4-13-15-6/h4,11H,1-2H2,(H2,10,14)
InChIKeyITWCAYHMUOANJG-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.63
Rot. Bonds4

About 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile

3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 106412754) has the molecular formula C8H8N6OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile
PubChem CID106412754
Molecular FormulaC8H8N6OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1NCCc1ncno1
InChIInChI=1S/C8H8N6OS/c9-3-5-7(10)14-16-8(5)11-2-1-6-12-4-13-15-6/h4,11H,1-2H2,(H2,10,14)
InChIKeyITWCAYHMUOANJG-UHFFFAOYSA-N
XLogP0.63
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile (CID 106412754) is 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1NCCc1ncno1.
What is the InChIKey of 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is ITWCAYHMUOANJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6OS/c9-3-5-7(10)14-16-8(5)11-2-1-6-12-4-13-15-6/h4,11H,1-2H2,(H2,10,14).
What are the key properties of 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 236.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 106412754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).