2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride

C16H23ClN4O2S2 — CID 163331268

IUPAC2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
SMILESCSCCC(N)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1.Cl
InChIInChI=1S/C16H22N4O2S2.ClH/c1-10-4-5-13(11(2)8-10)18-14(21)9-24-16-20-19-15(22-16)12(17)6-7-23-3;/h4-5,8,12H,6-7,9,17H2,1-3H3,(H,18,21);1H
InChIKeyQPPYJOMJIWVLQM-UHFFFAOYSA-N
MW402.97 g/mol
LogP3.59
Rot. Bonds8

About 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride

2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride (PubChem CID 163331268) has the molecular formula C16H23ClN4O2S2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
PubChem CID163331268
Molecular FormulaC16H23ClN4O2S2
Molecular Weight402.97 g/mol
Exact Mass402.10
IUPAC Name2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
SMILESCSCCC(N)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1.Cl
InChIInChI=1S/C16H22N4O2S2.ClH/c1-10-4-5-13(11(2)8-10)18-14(21)9-24-16-20-19-15(22-16)12(17)6-7-23-3;/h4-5,8,12H,6-7,9,17H2,1-3H3,(H,18,21);1H
InChIKeyQPPYJOMJIWVLQM-UHFFFAOYSA-N
XLogP3.59
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride with MolForge

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Related Compounds

2-[[5-[(1R)-1-amino-3-methylsulfanylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 6584127
2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide;hydrochloride
CID 163331286
2-[[5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 52994467
2-[[5-(1-amino-2-phenylethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 3367181
N-(2-methyl-4-nitrophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4043986
N-(2,4-dimethylphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3167516
2-[[5-(benzimidazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 1206525
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-(2,4-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4023777
2-[(5-benzhydryl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 19060717
2-[[5-(1-amino-3-methylbutyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 3563031
N-(2,4-dimethylphenyl)-2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126345428

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride (CID 163331268) is 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride is CSCCC(N)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1.Cl.
What is the InChIKey of 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride?
The InChIKey is QPPYJOMJIWVLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2.ClH/c1-10-4-5-13(11(2)8-10)18-14(21)9-24-16-20-19-15(22-16)12(17)6-7-23-3;/h4-5,8,12H,6-7,9,17H2,1-3H3,(H,18,21);1H.
What are the key properties of 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride?
2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride has a molecular weight of 402.97 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-amino-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 163331268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).