N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide

C7H12N4O2S — CID 102630633

IUPACN-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSc1nnc(CN)o1
InChIInChI=1S/C7H12N4O2S/c1-5(12)9-2-3-14-7-11-10-6(4-8)13-7/h2-4,8H2,1H3,(H,9,12)
InChIKeyGINFYXBTPGADOP-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.24
Rot. Bonds5

About N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide

N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide (PubChem CID 102630633) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide
PubChem CID102630633
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC NameN-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide
SMILESCC(=O)NCCSc1nnc(CN)o1
InChIInChI=1S/C7H12N4O2S/c1-5(12)9-2-3-14-7-11-10-6(4-8)13-7/h2-4,8H2,1H3,(H,9,12)
InChIKeyGINFYXBTPGADOP-UHFFFAOYSA-N
XLogP-0.24
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630364
[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630421
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 102630296
propan-2-yl 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 102630227
[5-(2-methylidenebutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630539
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide
CID 24659819
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 102629895
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 102629870
2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9170702
[5-[2-(4-nitrophenyl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630527
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 102630125
N-tert-butyl-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 4683481

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide?
The IUPAC name of N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide (CID 102630633) is N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide is CC(=O)NCCSc1nnc(CN)o1.
What is the InChIKey of N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide?
The InChIKey is GINFYXBTPGADOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-5(12)9-2-3-14-7-11-10-6(4-8)13-7/h2-4,8H2,1H3,(H,9,12).
What are the key properties of N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide?
N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide has a molecular weight of 216.27 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]acetamide is sourced from PubChem (CID 102630633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).