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

C12H16N4OS — CID 106960369

IUPAC5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CNc2nnc(CNC3CC3)o2)s1
InChIInChI=1S/C12H16N4OS/c1-8-2-5-10(18-8)6-14-12-16-15-11(17-12)7-13-9-3-4-9/h2,5,9,13H,3-4,6-7H2,1H3,(H,14,16)
InChIKeyOCDJKPHELLNCMV-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.30
Rot. Bonds6

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

5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960369) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960369
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(CNc2nnc(CNC3CC3)o2)s1
InChIInChI=1S/C12H16N4OS/c1-8-2-5-10(18-8)6-14-12-16-15-11(17-12)7-13-9-3-4-9/h2,5,9,13H,3-4,6-7H2,1H3,(H,14,16)
InChIKeyOCDJKPHELLNCMV-UHFFFAOYSA-N
XLogP2.30
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.30
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-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 106960369) is 5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(CNc2nnc(CNC3CC3)o2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OCDJKPHELLNCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-2-5-10(18-8)6-14-12-16-15-11(17-12)7-13-9-3-4-9/h2,5,9,13H,3-4,6-7H2,1H3,(H,14,16).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).