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

C14H20N4OS — CID 106963241

IUPAC5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(CNc1nnc(CNC2CC2)o1)c1cccs1
InChIInChI=1S/C14H20N4OS/c1-14(2,11-4-3-7-20-11)9-16-13-18-17-12(19-13)8-15-10-5-6-10/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyFSSDDXSNNNMPGP-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.77
Rot. Bonds7

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

5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963241) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963241
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(CNc1nnc(CNC2CC2)o1)c1cccs1
InChIInChI=1S/C14H20N4OS/c1-14(2,11-4-3-7-20-11)9-16-13-18-17-12(19-13)8-15-10-5-6-10/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyFSSDDXSNNNMPGP-UHFFFAOYSA-N
XLogP2.77
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine (CID 106963241) is 5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine is CC(C)(CNc1nnc(CNC2CC2)o1)c1cccs1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FSSDDXSNNNMPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-14(2,11-4-3-7-20-11)9-16-13-18-17-12(19-13)8-15-10-5-6-10/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 292.41 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).