5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

C12H11N5OS — CID 115528772

IUPAC5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESCCc1cc(-c2nc(-c3ccncn3)no2)c(N)s1
InChIInChI=1S/C12H11N5OS/c1-2-7-5-8(10(13)19-7)12-16-11(17-18-12)9-3-4-14-6-15-9/h3-6H,2,13H2,1H3
InChIKeySXKQAZOLMPMZJJ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.40
Rot. Bonds3

About 5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine

5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (PubChem CID 115528772) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
PubChem CID115528772
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
SMILESCCc1cc(-c2nc(-c3ccncn3)no2)c(N)s1
InChIInChI=1S/C12H11N5OS/c1-2-7-5-8(10(13)19-7)12-16-11(17-18-12)9-3-4-14-6-15-9/h3-6H,2,13H2,1H3
InChIKeySXKQAZOLMPMZJJ-UHFFFAOYSA-N
XLogP2.40
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The IUPAC name of 5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine (CID 115528772) is 5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is CCc1cc(-c2nc(-c3ccncn3)no2)c(N)s1.
What is the InChIKey of 5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
The InChIKey is SXKQAZOLMPMZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-2-7-5-8(10(13)19-7)12-16-11(17-18-12)9-3-4-14-6-15-9/h3-6H,2,13H2,1H3.
What are the key properties of 5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine?
5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine has a molecular weight of 273.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)thiophen-2-amine is sourced from PubChem (CID 115528772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).