5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide

C13H17N3O2S — CID 52800521

IUPAC5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)N[C@H](C)c2nc(C)no2)cc1C
InChIInChI=1S/C13H17N3O2S/c1-5-10-7(2)6-11(19-10)12(17)14-8(3)13-15-9(4)16-18-13/h6,8H,5H2,1-4H3,(H,14,17)/t8-/m1/s1
InChIKeyKCPIIXGNOPFBAN-MRVPVSSYSA-N
MW279.37 g/mol
LogP2.80
Rot. Bonds4

About 5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide

5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide (PubChem CID 52800521) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide
PubChem CID52800521
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)N[C@H](C)c2nc(C)no2)cc1C
InChIInChI=1S/C13H17N3O2S/c1-5-10-7(2)6-11(19-10)12(17)14-8(3)13-15-9(4)16-18-13/h6,8H,5H2,1-4H3,(H,14,17)/t8-/m1/s1
InChIKeyKCPIIXGNOPFBAN-MRVPVSSYSA-N
XLogP2.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide (CID 52800521) is 5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide is CCc1sc(C(=O)N[C@H](C)c2nc(C)no2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is KCPIIXGNOPFBAN-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-5-10-7(2)6-11(19-10)12(17)14-8(3)13-15-9(4)16-18-13/h6,8H,5H2,1-4H3,(H,14,17)/t8-/m1/s1.
What are the key properties of 5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide?
5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 52800521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).