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

C8H4N4O6S — CID 3749457

IUPAC5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H4N4O6S/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)
InChIKeyNRCXOZCUBHZNJE-UHFFFAOYSA-N
MW284.21 g/mol
LogP1.80
Rot. Bonds4

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

5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 3749457) has the molecular formula C8H4N4O6S and a molecular weight of 284.21 g/mol. Its IUPAC name is 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID3749457
Molecular FormulaC8H4N4O6S
Molecular Weight284.21 g/mol
Exact Mass283.99
IUPAC Name5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H4N4O6S/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)
InChIKeyNRCXOZCUBHZNJE-UHFFFAOYSA-N
XLogP1.80
TPSA141.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 51.80
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'}

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Related Compounds

5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 71459570
2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
CID 7113449
5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 45086935
5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474864
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
4-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612
3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3113439
N-(6-amino-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 156613225
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 2323203
N-[5-(cyclohexylmethylamino)-1,3,4-thiadiazol-2-yl]-5-nitrofuran-2-carboxamide
CID 5495958
2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105380941

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide (CID 3749457) is 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is NRCXOZCUBHZNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O6S/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)furan-2-carboxamide?
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 284.21 g/mol, XLogP of 1.80, 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)furan-2-carboxamide is sourced from PubChem (CID 3749457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).