[(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine

C13H7F3N4O3S — CID 173060156

IUPAC[(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine
SMILESNN=C(c1ccc([N+](=O)[O-])o1)c1nc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C13H7F3N4O3S/c14-13(15,16)6-1-2-7-9(5-6)24-12(18-7)11(19-17)8-3-4-10(23-8)20(21)22/h1-5H,17H2
InChIKeyIAMWDUIHCCWGMC-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.53
Rot. Bonds3

About [(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine

[(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine (PubChem CID 173060156) has the molecular formula C13H7F3N4O3S and a molecular weight of 356.29 g/mol. Its IUPAC name is [(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine.

Molecular Properties

Compound Name[(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine
PubChem CID173060156
Molecular FormulaC13H7F3N4O3S
Molecular Weight356.29 g/mol
Exact Mass356.02
IUPAC Name[(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine
SMILESNN=C(c1ccc([N+](=O)[O-])o1)c1nc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C13H7F3N4O3S/c14-13(15,16)6-1-2-7-9(5-6)24-12(18-7)11(19-17)8-3-4-10(23-8)20(21)22/h1-5H,17H2
InChIKeyIAMWDUIHCCWGMC-UHFFFAOYSA-N
XLogP3.53
TPSA107.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 [(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine?
The IUPAC name of [(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine (CID 173060156) is [(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine.
What is the SMILES notation for [(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine?
The canonical SMILES for [(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine is NN=C(c1ccc([N+](=O)[O-])o1)c1nc2ccc(C(F)(F)F)cc2s1.
What is the InChIKey of [(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine?
The InChIKey is IAMWDUIHCCWGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4O3S/c14-13(15,16)6-1-2-7-9(5-6)24-12(18-7)11(19-17)8-3-4-10(23-8)20(21)22/h1-5H,17H2.
What are the key properties of [(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine?
[(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine has a molecular weight of 356.29 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-nitrofuran-2-yl)-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methylidene]hydrazine is sourced from PubChem (CID 173060156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).