(2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide

C12H22N4O2S — CID 9374867

IUPAC(2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)Sc1nnc([C@H](CC)N(C)C)o1
InChIInChI=1S/C12H22N4O2S/c1-6-9(16(4)5)11-14-15-12(18-11)19-8(3)10(17)13-7-2/h8-9H,6-7H2,1-5H3,(H,13,17)/t8-,9+/m1/s1
InChIKeyAJASDNICDAVGDR-BDAKNGLRSA-N
MW286.40 g/mol
LogP1.70
Rot. Bonds7

About (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide

(2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide (PubChem CID 9374867) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
PubChem CID9374867
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name(2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)Sc1nnc([C@H](CC)N(C)C)o1
InChIInChI=1S/C12H22N4O2S/c1-6-9(16(4)5)11-14-15-12(18-11)19-8(3)10(17)13-7-2/h8-9H,6-7H2,1-5H3,(H,13,17)/t8-,9+/m1/s1
InChIKeyAJASDNICDAVGDR-BDAKNGLRSA-N
XLogP1.70
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide with MolForge

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Related Compounds

(2R)-2-[[5-[(1R)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 9374871
(2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide
CID 9374873
2-[[5-[(1R)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 9374757
(2S)-N-ethyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8600832
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-ynylpropanamide
CID 102630049
(2R)-2-[[5-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 9379407
dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
CID 9377617
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropanamide
CID 9414816
2-[[5-[(1R)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9374779
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylpropanamide
CID 102630165
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 47119494
2-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 23006665

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide (CID 9374867) is (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide is CCNC(=O)[C@@H](C)Sc1nnc([C@H](CC)N(C)C)o1.
What is the InChIKey of (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide?
The InChIKey is AJASDNICDAVGDR-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-6-9(16(4)5)11-14-15-12(18-11)19-8(3)10(17)13-7-2/h8-9H,6-7H2,1-5H3,(H,13,17)/t8-,9+/m1/s1.
What are the key properties of (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide?
(2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide is sourced from PubChem (CID 9374867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).