5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide

C8H4N4O5S2 — CID 71455866

IUPAC5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H4N4O5S2/c13-7(4-1-2-5(18-4)11(14)15)10-8-9-3-6(19-8)12(16)17/h1-3H,(H,9,10,13)
InChIKeyKPPWPQNDTUMUOJ-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.27
Rot. Bonds4

About 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide

5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 71455866) has the molecular formula C8H4N4O5S2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID71455866
Molecular FormulaC8H4N4O5S2
Molecular Weight300.28 g/mol
Exact Mass299.96
IUPAC Name5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H4N4O5S2/c13-7(4-1-2-5(18-4)11(14)15)10-8-9-3-6(19-8)12(16)17/h1-3H,(H,9,10,13)
InChIKeyKPPWPQNDTUMUOJ-UHFFFAOYSA-N
XLogP2.27
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 71455866) is 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is KPPWPQNDTUMUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O5S2/c13-7(4-1-2-5(18-4)11(14)15)10-8-9-3-6(19-8)12(16)17/h1-3H,(H,9,10,13).
What are the key properties of 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide?
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 71455866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).