2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide

C12H22N4O2S — CID 62253671

IUPAC2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCSc1nnc(C)o1)C(N)=O
InChIInChI=1S/C12H22N4O2S/c1-4-7-14-12(3,10(13)17)6-5-8-19-11-16-15-9(2)18-11/h14H,4-8H2,1-3H3,(H2,13,17)
InChIKeyDIWIDLGZJRRLSA-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.49
Rot. Bonds9

About 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide

2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide (PubChem CID 62253671) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide.

Molecular Properties

Compound Name2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide
PubChem CID62253671
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCSc1nnc(C)o1)C(N)=O
InChIInChI=1S/C12H22N4O2S/c1-4-7-14-12(3,10(13)17)6-5-8-19-11-16-15-9(2)18-11/h14H,4-8H2,1-3H3,(H2,13,17)
InChIKeyDIWIDLGZJRRLSA-UHFFFAOYSA-N
XLogP1.49
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide?
The IUPAC name of 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide (CID 62253671) is 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide.
What is the SMILES notation for 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide?
The canonical SMILES for 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide is CCCNC(C)(CCCSc1nnc(C)o1)C(N)=O.
What is the InChIKey of 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide?
The InChIKey is DIWIDLGZJRRLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-7-14-12(3,10(13)17)6-5-8-19-11-16-15-9(2)18-11/h14H,4-8H2,1-3H3,(H2,13,17).
What are the key properties of 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide?
2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide has a molecular weight of 286.40 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide is sourced from PubChem (CID 62253671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).