4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C13H18N4O2S — CID 79077443

IUPAC4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(C3CN(C)CCO3)no2)c1C
InChIInChI=1S/C13H18N4O2S/c1-7-8(2)20-11(14)10(7)13-15-12(16-19-13)9-6-17(3)4-5-18-9/h9H,4-6,14H2,1-3H3
InChIKeyLIUNPHIXNZSUNZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.00
Rot. Bonds2

About 4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 79077443) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID79077443
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(C3CN(C)CCO3)no2)c1C
InChIInChI=1S/C13H18N4O2S/c1-7-8(2)20-11(14)10(7)13-15-12(16-19-13)9-6-17(3)4-5-18-9/h9H,4-6,14H2,1-3H3
InChIKeyLIUNPHIXNZSUNZ-UHFFFAOYSA-N
XLogP2.00
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 79077443) is 4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1sc(N)c(-c2nc(C3CN(C)CCO3)no2)c1C.
What is the InChIKey of 4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is LIUNPHIXNZSUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-7-8(2)20-11(14)10(7)13-15-12(16-19-13)9-6-17(3)4-5-18-9/h9H,4-6,14H2,1-3H3.
What are the key properties of 4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 294.38 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 79077443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).