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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Related Compounds

5-[(cyclopropylamino)methyl]-N-(5-methylsulfanylpentyl)-1,3,4-oxadiazol-2-amine
CID 114129282
5-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)-1,3,4-oxadiazol-2-amine
CID 114131451
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)-1,3,4-oxadiazol-2-amine
CID 106965113
N-cyclopropyl-4-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]butanamide
CID 106962873
N-(2-thiomorpholin-4-ylethyl)thian-4-amine
CID 115623278
5-[(cyclopropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961019
5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960369
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
N-(2-thiomorpholin-4-ylethyl)cyclopentanamine
CID 60849284
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961284
5-[(cyclopropylamino)methyl]-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967429
5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
CID 106969378

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).