5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine

C12H21N5OS — CID 106327738

IUPAC5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESC(CN1CCSCC1)Nc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H21N5OS/c1-2-10(1)14-9-11-15-16-12(18-11)13-3-4-17-5-7-19-8-6-17/h10,14H,1-9H2,(H,13,16)
InChIKeyZJVRIUVNYGTKNM-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.78
Rot. Bonds7

About 5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine

5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106327738) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106327738
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine
SMILESC(CN1CCSCC1)Nc1nnc(CNC2CC2)o1
InChIInChI=1S/C12H21N5OS/c1-2-10(1)14-9-11-15-16-12(18-11)13-3-4-17-5-7-19-8-6-17/h10,14H,1-9H2,(H,13,16)
InChIKeyZJVRIUVNYGTKNM-UHFFFAOYSA-N
XLogP0.78
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine (CID 106327738) is 5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine is C(CN1CCSCC1)Nc1nnc(CNC2CC2)o1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZJVRIUVNYGTKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-2-10(1)14-9-11-15-16-12(18-11)13-3-4-17-5-7-19-8-6-17/h10,14H,1-9H2,(H,13,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-thiomorpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106327738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).