4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide

C8H6N4O4S — CID 56615074

IUPAC4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccc([N+](=O)[O-])o2)cs1
InChIInChI=1S/C8H6N4O4S/c9-11-7(13)8-10-4(3-17-8)5-1-2-6(16-5)12(14)15/h1-3H,9H2,(H,11,13)
InChIKeyKODZKHBDTPPXIQ-UHFFFAOYSA-N
MW254.23 g/mol
LogP0.91
Rot. Bonds3

About 4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide

4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide (PubChem CID 56615074) has the molecular formula C8H6N4O4S and a molecular weight of 254.23 g/mol. Its IUPAC name is 4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
PubChem CID56615074
Molecular FormulaC8H6N4O4S
Molecular Weight254.23 g/mol
Exact Mass254.01
IUPAC Name4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(-c2ccc([N+](=O)[O-])o2)cs1
InChIInChI=1S/C8H6N4O4S/c9-11-7(13)8-10-4(3-17-8)5-1-2-6(16-5)12(14)15/h1-3H,9H2,(H,11,13)
InChIKeyKODZKHBDTPPXIQ-UHFFFAOYSA-N
XLogP0.91
TPSA124.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide (CID 56615074) is 4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(-c2ccc([N+](=O)[O-])o2)cs1.
What is the InChIKey of 4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is KODZKHBDTPPXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O4S/c9-11-7(13)8-10-4(3-17-8)5-1-2-6(16-5)12(14)15/h1-3H,9H2,(H,11,13).
What are the key properties of 4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide?
4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 254.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitrofuran-2-yl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 56615074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).