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

C13H24N4O2S — CID 9374873

IUPAC(2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide
SMILESCC[C@@H](c1nnc(S[C@@H](C)C(=O)NC(C)C)o1)N(C)C
InChIInChI=1S/C13H24N4O2S/c1-7-10(17(5)6)12-15-16-13(19-12)20-9(4)11(18)14-8(2)3/h8-10H,7H2,1-6H3,(H,14,18)/t9-,10-/m0/s1
InChIKeyNDKAVJIPSPETBA-UWVGGRQHSA-N
MW300.43 g/mol
LogP2.09
Rot. Bonds7

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

(2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide (PubChem CID 9374873) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is (2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide
PubChem CID9374873
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide
SMILESCC[C@@H](c1nnc(S[C@@H](C)C(=O)NC(C)C)o1)N(C)C
InChIInChI=1S/C13H24N4O2S/c1-7-10(17(5)6)12-15-16-13(19-12)20-9(4)11(18)14-8(2)3/h8-10H,7H2,1-6H3,(H,14,18)/t9-,10-/m0/s1
InChIKeyNDKAVJIPSPETBA-UWVGGRQHSA-N
XLogP2.09
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[5-[(1R)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 9374871
(2R)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylpropanamide
CID 9374867
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylpropanamide
CID 102630165
2-[[5-[(1R)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 9374757
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-(difluoromethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 23006665
N-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 75649599
2-[[5-[1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
CID 2998361
(2S)-2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)propanamide
CID 9373792
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-prop-2-ynylpropanamide
CID 102630049
dimethyl-[[5-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azanium
CID 9377617
2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 2122925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide (CID 9374873) is (2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide is CC[C@@H](c1nnc(S[C@@H](C)C(=O)NC(C)C)o1)N(C)C.
What is the InChIKey of (2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide?
The InChIKey is NDKAVJIPSPETBA-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-7-10(17(5)6)12-15-16-13(19-12)20-9(4)11(18)14-8(2)3/h8-10H,7H2,1-6H3,(H,14,18)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide?
(2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide has a molecular weight of 300.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-[(1S)-1-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 9374873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).