dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine

C12H14N5O3S+ — CID 126960446

IUPACdihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1ccccc1)c1cccs1.O=[N+](O)O
InChIInChI=1S/C12H12N4S.H2NO3/c13-12(14)16-15-11(10-7-4-8-17-10)9-5-2-1-3-6-9;2-1(3)4/h1-8H,(H4,13,14,16);(H2,2,3,4)/q;+1/b15-11+;
InChIKeyAVWXSNYFPSFLOQ-KRWCAOSLSA-N
MW308.34 g/mol
LogP1.32
Rot. Bonds3

About dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine

dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine (PubChem CID 126960446) has the molecular formula C12H14N5O3S+ and a molecular weight of 308.34 g/mol. Its IUPAC name is dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine.

Molecular Properties

Compound Namedihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine
PubChem CID126960446
Molecular FormulaC12H14N5O3S+
Molecular Weight308.34 g/mol
Exact Mass308.08
IUPAC Namedihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1ccccc1)c1cccs1.O=[N+](O)O
InChIInChI=1S/C12H12N4S.H2NO3/c13-12(14)16-15-11(10-7-4-8-17-10)9-5-2-1-3-6-9;2-1(3)4/h1-8H,(H4,13,14,16);(H2,2,3,4)/q;+1/b15-11+;
InChIKeyAVWXSNYFPSFLOQ-KRWCAOSLSA-N
XLogP1.32
TPSA137.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzamide;thiophene-2-carboxamide
CID 174752818
N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide
CID 678526
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740
2-[(E)-1,2-diphenyl-2-thiophen-2-ylethenyl]thiophene
CID 10688838
benzamido thiophene-2-carboxylate
CID 2804175
N-(dithiophen-2-ylmethylidene)hydroxylamine
CID 2775140
benzoyl thiophene-2-carboxylate
CID 174319053
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406
2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135460269
2-[(E)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135407116
N'-(benzhydrylideneamino)ethanimidamide
CID 11128320

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine?
The IUPAC name of dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine (CID 126960446) is dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine.
What is the SMILES notation for dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine?
The canonical SMILES for dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine is NC(N)=N/N=C(\c1ccccc1)c1cccs1.O=[N+](O)O.
What is the InChIKey of dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine?
The InChIKey is AVWXSNYFPSFLOQ-KRWCAOSLSA-N. The full InChI is InChI=1S/C12H12N4S.H2NO3/c13-12(14)16-15-11(10-7-4-8-17-10)9-5-2-1-3-6-9;2-1(3)4/h1-8H,(H4,13,14,16);(H2,2,3,4)/q;+1/b15-11+;.
What are the key properties of dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine?
dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine has a molecular weight of 308.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)azanium;2-[(E)-[phenyl(thiophen-2-yl)methylidene]amino]guanidine is sourced from PubChem (CID 126960446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).