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

C10H14N4OS — CID 106959621

IUPAC5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(C(C)Nc2nnc(CN)o2)s1
InChIInChI=1S/C10H14N4OS/c1-6-3-4-8(16-6)7(2)12-10-14-13-9(5-11)15-10/h3-4,7H,5,11H2,1-2H3,(H,12,14)
InChIKeyJEIIWEYHBWNETO-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.07
Rot. Bonds4

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

5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106959621) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106959621
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(C(C)Nc2nnc(CN)o2)s1
InChIInChI=1S/C10H14N4OS/c1-6-3-4-8(16-6)7(2)12-10-14-13-9(5-11)15-10/h3-4,7H,5,11H2,1-2H3,(H,12,14)
InChIKeyJEIIWEYHBWNETO-UHFFFAOYSA-N
XLogP2.07
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106959621) is 5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is Cc1ccc(C(C)Nc2nnc(CN)o2)s1.
What is the InChIKey of 5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JEIIWEYHBWNETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6-3-4-8(16-6)7(2)12-10-14-13-9(5-11)15-10/h3-4,7H,5,11H2,1-2H3,(H,12,14).
What are the key properties of 5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 238.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).