5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C9H13N5OS — CID 116799668

IUPAC5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCC(N)c1nc(-c2nc(N(C)C)no2)cs1
InChIInChI=1S/C9H13N5OS/c1-5(10)8-11-6(4-16-8)7-12-9(13-15-7)14(2)3/h4-5H,10H2,1-3H3
InChIKeyARFRMARMGKIUPP-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.28
Rot. Bonds3

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

5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 116799668) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID116799668
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCC(N)c1nc(-c2nc(N(C)C)no2)cs1
InChIInChI=1S/C9H13N5OS/c1-5(10)8-11-6(4-16-8)7-12-9(13-15-7)14(2)3/h4-5H,10H2,1-3H3
InChIKeyARFRMARMGKIUPP-UHFFFAOYSA-N
XLogP1.28
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 116799668) is 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CC(N)c1nc(-c2nc(N(C)C)no2)cs1.
What is the InChIKey of 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is ARFRMARMGKIUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-5(10)8-11-6(4-16-8)7-12-9(13-15-7)14(2)3/h4-5H,10H2,1-3H3.
What are the key properties of 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 239.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116799668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).