4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

C9H10N6OS — CID 7788258

IUPAC4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESCc1ccsc1/C=N/N=C(/N)c1nonc1N
InChIInChI=1S/C9H10N6OS/c1-5-2-3-17-6(5)4-12-13-8(10)7-9(11)15-16-14-7/h2-4H,1H3,(H2,10,13)(H2,11,15)/b12-4+
InChIKeyAEZINFASYIAOSY-UUILKARUSA-N
MW250.29 g/mol
LogP0.76
Rot. Bonds3

About 4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 7788258) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is 4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID7788258
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
SMILESCc1ccsc1/C=N/N=C(/N)c1nonc1N
InChIInChI=1S/C9H10N6OS/c1-5-2-3-17-6(5)4-12-13-8(10)7-9(11)15-16-14-7/h2-4H,1H3,(H2,10,13)(H2,11,15)/b12-4+
InChIKeyAEZINFASYIAOSY-UUILKARUSA-N
XLogP0.76
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide (CID 7788258) is 4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is Cc1ccsc1/C=N/N=C(/N)c1nonc1N.
What is the InChIKey of 4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is AEZINFASYIAOSY-UUILKARUSA-N. The full InChI is InChI=1S/C9H10N6OS/c1-5-2-3-17-6(5)4-12-13-8(10)7-9(11)15-16-14-7/h2-4H,1H3,(H2,10,13)(H2,11,15)/b12-4+.
What are the key properties of 4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 250.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 7788258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).