5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C12H13N5OS — CID 65196364

IUPAC5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCc1cc(-c2nc(-c3ccn(C)n3)no2)c(N)s1
InChIInChI=1S/C12H13N5OS/c1-3-7-6-8(10(13)19-7)12-14-11(16-18-12)9-4-5-17(2)15-9/h4-6H,3,13H2,1-2H3
InChIKeyLQPDCVYWTUYFIG-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.34
Rot. Bonds3

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

5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 65196364) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID65196364
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCc1cc(-c2nc(-c3ccn(C)n3)no2)c(N)s1
InChIInChI=1S/C12H13N5OS/c1-3-7-6-8(10(13)19-7)12-14-11(16-18-12)9-4-5-17(2)15-9/h4-6H,3,13H2,1-2H3
InChIKeyLQPDCVYWTUYFIG-UHFFFAOYSA-N
XLogP2.34
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.34
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-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 65196364) is 5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is CCc1cc(-c2nc(-c3ccn(C)n3)no2)c(N)s1.
What is the InChIKey of 5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is LQPDCVYWTUYFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-3-7-6-8(10(13)19-7)12-14-11(16-18-12)9-4-5-17(2)15-9/h4-6H,3,13H2,1-2H3.
What are the key properties of 5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-ethyl-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 275.34 g/mol, XLogP of 2.34, 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-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 65196364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).