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

C9H15N3O2S — CID 4620467

IUPACN-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCNC(=O)CCSc1nnc(C(C)C)o1
InChIInChI=1S/C9H15N3O2S/c1-6(2)8-11-12-9(14-8)15-5-4-7(13)10-3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyCECOQNAAZLNKJT-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.42
Rot. Bonds5

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

N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 4620467) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID4620467
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCNC(=O)CCSc1nnc(C(C)C)o1
InChIInChI=1S/C9H15N3O2S/c1-6(2)8-11-12-9(14-8)15-5-4-7(13)10-3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyCECOQNAAZLNKJT-UHFFFAOYSA-N
XLogP1.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 4620467) is N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is CNC(=O)CCSc1nnc(C(C)C)o1.
What is the InChIKey of N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is CECOQNAAZLNKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)8-11-12-9(14-8)15-5-4-7(13)10-3/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 229.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 4620467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).