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

C11H16N4O3S2 — CID 116632721

IUPAC4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCC(c1noc(CCCc2csc(N)n2)n1)S(C)(=O)=O
InChIInChI=1S/C11H16N4O3S2/c1-7(20(2,16)17)10-14-9(18-15-10)5-3-4-8-6-19-11(12)13-8/h6-7H,3-5H2,1-2H3,(H2,12,13)
InChIKeyOGUIRDYLFHGCRY-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.39
Rot. Bonds6

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

4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (PubChem CID 116632721) has the molecular formula C11H16N4O3S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
PubChem CID116632721
Molecular FormulaC11H16N4O3S2
Molecular Weight316.41 g/mol
Exact Mass316.07
IUPAC Name4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
SMILESCC(c1noc(CCCc2csc(N)n2)n1)S(C)(=O)=O
InChIInChI=1S/C11H16N4O3S2/c1-7(20(2,16)17)10-14-9(18-15-10)5-3-4-8-6-19-11(12)13-8/h6-7H,3-5H2,1-2H3,(H2,12,13)
InChIKeyOGUIRDYLFHGCRY-UHFFFAOYSA-N
XLogP1.39
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.39
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-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine (CID 116632721) is 4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is CC(c1noc(CCCc2csc(N)n2)n1)S(C)(=O)=O.
What is the InChIKey of 4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
The InChIKey is OGUIRDYLFHGCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S2/c1-7(20(2,16)17)10-14-9(18-15-10)5-3-4-8-6-19-11(12)13-8/h6-7H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine?
4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine has a molecular weight of 316.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 116632721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).