2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine

C6H7N5O2S — CID 5477310

IUPAC2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine
SMILESNC(N)=N/N=C\c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C6H7N5O2S/c7-6(8)10-9-3-4-1-2-5(14-4)11(12)13/h1-3H,(H4,7,8,10)/b9-3-
InChIKeyLIMHSTZRYMWFSE-OQFOIZHKSA-N
MW213.22 g/mol
LogP0.26
Rot. Bonds3

About 2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine

2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine (PubChem CID 5477310) has the molecular formula C6H7N5O2S and a molecular weight of 213.22 g/mol. Its IUPAC name is 2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine
PubChem CID5477310
Molecular FormulaC6H7N5O2S
Molecular Weight213.22 g/mol
Exact Mass213.03
IUPAC Name2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine
SMILESNC(N)=N/N=C\c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C6H7N5O2S/c7-6(8)10-9-3-4-1-2-5(14-4)11(12)13/h1-3H,(H4,7,8,10)/b9-3-
InChIKeyLIMHSTZRYMWFSE-OQFOIZHKSA-N
XLogP0.26
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine (CID 5477310) is 2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine is NC(N)=N/N=C\c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine?
The InChIKey is LIMHSTZRYMWFSE-OQFOIZHKSA-N. The full InChI is InChI=1S/C6H7N5O2S/c7-6(8)10-9-3-4-1-2-5(14-4)11(12)13/h1-3H,(H4,7,8,10)/b9-3-.
What are the key properties of 2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine?
2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine has a molecular weight of 213.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]guanidine is sourced from PubChem (CID 5477310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).