N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine

C5H7N3OS2 — CID 123387677

IUPACN-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine
SMILESSSc1nnc(NC2CC2)o1
InChIInChI=1S/C5H7N3OS2/c10-11-5-8-7-4(9-5)6-3-1-2-3/h3,10H,1-2H2,(H,6,7)
InChIKeyMGICTIZHECVIRJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.58
Rot. Bonds3

About N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine

N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine (PubChem CID 123387677) has the molecular formula C5H7N3OS2 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine
PubChem CID123387677
Molecular FormulaC5H7N3OS2
Molecular Weight189.26 g/mol
Exact Mass189.00
IUPAC NameN-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine
SMILESSSc1nnc(NC2CC2)o1
InChIInChI=1S/C5H7N3OS2/c10-11-5-8-7-4(9-5)6-3-1-2-3/h3,10H,1-2H2,(H,6,7)
InChIKeyMGICTIZHECVIRJ-UHFFFAOYSA-N
XLogP1.58
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 83875168
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
N-cyclopropyl-5-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 83886680
N-cyclopropyl-5-piperidin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456032
5-[(cyclopropylamino)methyl]-N-(oxan-4-yl)-1,3,4-oxadiazol-2-amine
CID 106969378
N'-[5-(cyclohexylamino)-1,3,4-oxadiazol-2-yl]butanehydrazide
CID 4113877
N-cyclopentyl-5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 110456120
5-benzyl-N-cyclohexyl-1,3,4-oxadiazol-2-amine
CID 15919005
5-(methylaminomethyl)-N-(4-propylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106971262
N,3-dicyclopropyl-1,2,4-oxadiazol-5-amine
CID 62594867
5-[1-(ethylamino)ethyl]-N-(4-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106970199
5-(2-chloroethyl)-N-(thian-4-yl)-1,3,4-oxadiazol-2-amine
CID 106958675

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine (CID 123387677) is N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine is SSc1nnc(NC2CC2)o1.
What is the InChIKey of N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MGICTIZHECVIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS2/c10-11-5-8-7-4(9-5)6-3-1-2-3/h3,10H,1-2H2,(H,6,7).
What are the key properties of N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine?
N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 189.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 123387677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).