4-amino-5-nitrothiophene-2-carbonitrile

C5H3N3O2S — CID 164646337

IUPAC4-amino-5-nitrothiophene-2-carbonitrile
SMILESN#Cc1cc(N)c([N+](=O)[O-])s1
InChIInChI=1S/C5H3N3O2S/c6-2-3-1-4(7)5(11-3)8(9)10/h1H,7H2
InChIKeyVQXGFZMKLRMSBB-UHFFFAOYSA-N
MW169.17 g/mol
LogP1.11
Rot. Bonds1

About 4-amino-5-nitrothiophene-2-carbonitrile

4-amino-5-nitrothiophene-2-carbonitrile (PubChem CID 164646337) has the molecular formula C5H3N3O2S and a molecular weight of 169.17 g/mol. Its IUPAC name is 4-amino-5-nitrothiophene-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-nitrothiophene-2-carbonitrile
PubChem CID164646337
Molecular FormulaC5H3N3O2S
Molecular Weight169.17 g/mol
Exact Mass168.99
IUPAC Name4-amino-5-nitrothiophene-2-carbonitrile
SMILESN#Cc1cc(N)c([N+](=O)[O-])s1
InChIInChI=1S/C5H3N3O2S/c6-2-3-1-4(7)5(11-3)8(9)10/h1H,7H2
InChIKeyVQXGFZMKLRMSBB-UHFFFAOYSA-N
XLogP1.11
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-5-nitrothiophene-3-carbonitrile
CID 71365576
2-nitro-5-phenylthiophen-3-amine
CID 83617416
3-amino-4-nitrobenzonitrile
CID 11491982
4-amino-3-nitrobenzonitrile
CID 595901
4-amino-2-bromo-5-nitrobenzonitrile
CID 121229215
2-amino-4-bromo-6-nitrobenzonitrile
CID 171014490
2-amino-6-chloro-4-nitrobenzonitrile
CID 171015340
2-amino-6-nitro-1-benzothiophene-3-carbonitrile
CID 14122311
5-amino-2-nitrobenzonitrile
CID 53400683
4-amino-2-methylsulfanyl-5-nitrobenzonitrile
CID 140869633
2-cyano-4-nitrophenolate
CID 15373227
5-amino-4-nitropyridine-3-carbonitrile
CID 19034852

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-nitrothiophene-2-carbonitrile?
The IUPAC name of 4-amino-5-nitrothiophene-2-carbonitrile (CID 164646337) is 4-amino-5-nitrothiophene-2-carbonitrile.
What is the SMILES notation for 4-amino-5-nitrothiophene-2-carbonitrile?
The canonical SMILES for 4-amino-5-nitrothiophene-2-carbonitrile is N#Cc1cc(N)c([N+](=O)[O-])s1.
What is the InChIKey of 4-amino-5-nitrothiophene-2-carbonitrile?
The InChIKey is VQXGFZMKLRMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O2S/c6-2-3-1-4(7)5(11-3)8(9)10/h1H,7H2.
What are the key properties of 4-amino-5-nitrothiophene-2-carbonitrile?
4-amino-5-nitrothiophene-2-carbonitrile has a molecular weight of 169.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-nitrothiophene-2-carbonitrile is sourced from PubChem (CID 164646337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).