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

C8H11N5OS — CID 116799505

IUPAC5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(Cc2csc(N)n2)n1
InChIInChI=1S/C8H11N5OS/c1-13(2)8-11-6(14-12-8)3-5-4-15-7(9)10-5/h4H,3H2,1-2H3,(H2,9,10)
InChIKeyDOYWYEFZFVXMPN-UHFFFAOYSA-N
MW225.28 g/mol
LogP0.77
Rot. Bonds3

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

5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 116799505) has the molecular formula C8H11N5OS and a molecular weight of 225.28 g/mol. Its IUPAC name is 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID116799505
Molecular FormulaC8H11N5OS
Molecular Weight225.28 g/mol
Exact Mass225.07
IUPAC Name5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(Cc2csc(N)n2)n1
InChIInChI=1S/C8H11N5OS/c1-13(2)8-11-6(14-12-8)3-5-4-15-7(9)10-5/h4H,3H2,1-2H3,(H2,9,10)
InChIKeyDOYWYEFZFVXMPN-UHFFFAOYSA-N
XLogP0.77
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 116799505) is 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(Cc2csc(N)n2)n1.
What is the InChIKey of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is DOYWYEFZFVXMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5OS/c1-13(2)8-11-6(14-12-8)3-5-4-15-7(9)10-5/h4H,3H2,1-2H3,(H2,9,10).
What are the key properties of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 225.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116799505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).