amino-(5-cyanothiophen-2-yl)azanium

C5H6N3S+ — CID 59843316

IUPACamino-(5-cyanothiophen-2-yl)azanium
SMILESN#Cc1ccc([NH2+]N)s1
InChIInChI=1S/C5H5N3S/c6-3-4-1-2-5(8-7)9-4/h1-2,8H,7H2/p+1
InChIKeyUIZGAFKSFMZLAU-UHFFFAOYSA-O
MW140.19 g/mol
LogP-0.31
Rot. Bonds1

About amino-(5-cyanothiophen-2-yl)azanium

amino-(5-cyanothiophen-2-yl)azanium (PubChem CID 59843316) has the molecular formula C5H6N3S+ and a molecular weight of 140.19 g/mol. Its IUPAC name is amino-(5-cyanothiophen-2-yl)azanium.

Molecular Properties

Compound Nameamino-(5-cyanothiophen-2-yl)azanium
PubChem CID59843316
Molecular FormulaC5H6N3S+
Molecular Weight140.19 g/mol
Exact Mass140.03
IUPAC Nameamino-(5-cyanothiophen-2-yl)azanium
SMILESN#Cc1ccc([NH2+]N)s1
InChIInChI=1S/C5H5N3S/c6-3-4-1-2-5(8-7)9-4/h1-2,8H,7H2/p+1
InChIKeyUIZGAFKSFMZLAU-UHFFFAOYSA-O
XLogP-0.31
TPSA66.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-(5-cyanothiophen-2-yl)azanium?
The IUPAC name of amino-(5-cyanothiophen-2-yl)azanium (CID 59843316) is amino-(5-cyanothiophen-2-yl)azanium.
What is the SMILES notation for amino-(5-cyanothiophen-2-yl)azanium?
The canonical SMILES for amino-(5-cyanothiophen-2-yl)azanium is N#Cc1ccc([NH2+]N)s1.
What is the InChIKey of amino-(5-cyanothiophen-2-yl)azanium?
The InChIKey is UIZGAFKSFMZLAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5N3S/c6-3-4-1-2-5(8-7)9-4/h1-2,8H,7H2/p+1.
What are the key properties of amino-(5-cyanothiophen-2-yl)azanium?
amino-(5-cyanothiophen-2-yl)azanium has a molecular weight of 140.19 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(5-cyanothiophen-2-yl)azanium is sourced from PubChem (CID 59843316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).