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

C11H16N4OS2 — CID 79391131

IUPACN,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(CSC(C)C)no1
InChIInChI=1S/C11H16N4OS2/c1-6(2)17-5-8-13-10(16-14-8)9-7(3)15-18-11(9)12-4/h6,12H,5H2,1-4H3
InChIKeyGDMBAKJSZBOCJI-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.18
Rot. Bonds5

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

N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine (PubChem CID 79391131) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
PubChem CID79391131
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC NameN,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(CSC(C)C)no1
InChIInChI=1S/C11H16N4OS2/c1-6(2)17-5-8-13-10(16-14-8)9-7(3)15-18-11(9)12-4/h6,12H,5H2,1-4H3
InChIKeyGDMBAKJSZBOCJI-UHFFFAOYSA-N
XLogP3.18
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The IUPAC name of N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine (CID 79391131) is N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The canonical SMILES for N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc(CSC(C)C)no1.
What is the InChIKey of N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
The InChIKey is GDMBAKJSZBOCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c1-6(2)17-5-8-13-10(16-14-8)9-7(3)15-18-11(9)12-4/h6,12H,5H2,1-4H3.
What are the key properties of N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine?
N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine has a molecular weight of 284.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 79391131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).