N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C12H14N4O2S — CID 851274

IUPACN-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCCNC(=O)CCSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C12H14N4O2S/c1-2-14-10(17)5-8-19-12-16-15-11(18-12)9-3-6-13-7-4-9/h3-4,6-7H,2,5,8H2,1H3,(H,14,17)
InChIKeySFHSHRYNGYOFGE-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.75
Rot. Bonds6

About N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 851274) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID851274
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCCNC(=O)CCSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C12H14N4O2S/c1-2-14-10(17)5-8-19-12-16-15-11(18-12)9-3-6-13-7-4-9/h3-4,6-7H,2,5,8H2,1H3,(H,14,17)
InChIKeySFHSHRYNGYOFGE-UHFFFAOYSA-N
XLogP1.75
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 851274) is N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is CCNC(=O)CCSc1nnc(-c2ccncc2)o1.
What is the InChIKey of N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is SFHSHRYNGYOFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-2-14-10(17)5-8-19-12-16-15-11(18-12)9-3-6-13-7-4-9/h3-4,6-7H,2,5,8H2,1H3,(H,14,17).
What are the key properties of N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 278.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 851274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).