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

C12H17N5O2S — CID 50952397

IUPAC3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCC(NCCC(=O)Nc1nccs1)c1nc(C)no1
InChIInChI=1S/C12H17N5O2S/c1-3-9(11-15-8(2)17-19-11)13-5-4-10(18)16-12-14-6-7-20-12/h6-7,9,13H,3-5H2,1-2H3,(H,14,16,18)
InChIKeyDLAYLOVWCWUWIC-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.90
Rot. Bonds7

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

3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 50952397) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID50952397
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCC(NCCC(=O)Nc1nccs1)c1nc(C)no1
InChIInChI=1S/C12H17N5O2S/c1-3-9(11-15-8(2)17-19-11)13-5-4-10(18)16-12-14-6-7-20-12/h6-7,9,13H,3-5H2,1-2H3,(H,14,16,18)
InChIKeyDLAYLOVWCWUWIC-UHFFFAOYSA-N
XLogP1.90
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide (CID 50952397) is 3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide is CCC(NCCC(=O)Nc1nccs1)c1nc(C)no1.
What is the InChIKey of 3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is DLAYLOVWCWUWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-9(11-15-8(2)17-19-11)13-5-4-10(18)16-12-14-6-7-20-12/h6-7,9,13H,3-5H2,1-2H3,(H,14,16,18).
What are the key properties of 3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide?
3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 295.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 50952397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).