5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine

C7H9N5OS — CID 65204856

IUPAC5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnsc1-c1nnc(N)o1
InChIInChI=1S/C7H9N5OS/c1-3(2)4-5(14-12-9-4)6-10-11-7(8)13-6/h3H,1-2H3,(H2,8,11)
InChIKeyOBNIZEYLQXJYNY-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.29
Rot. Bonds2

About 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine

5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 65204856) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine
PubChem CID65204856
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnsc1-c1nnc(N)o1
InChIInChI=1S/C7H9N5OS/c1-3(2)4-5(14-12-9-4)6-10-11-7(8)13-6/h3H,1-2H3,(H2,8,11)
InChIKeyOBNIZEYLQXJYNY-UHFFFAOYSA-N
XLogP1.29
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine (CID 65204856) is 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine is CC(C)c1nnsc1-c1nnc(N)o1.
What is the InChIKey of 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OBNIZEYLQXJYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-3(2)4-5(14-12-9-4)6-10-11-7(8)13-6/h3H,1-2H3,(H2,8,11).
What are the key properties of 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine?
5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 211.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylthiadiazol-5-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 65204856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).