N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide

C13H9N3O4S — CID 5492977

IUPACN'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide
SMILESO=C(NNc1cc2ccccc2s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9N3O4S/c17-13(9-5-6-12(20-9)16(18)19)15-14-11-7-8-3-1-2-4-10(8)21-11/h1-7,14H,(H,15,17)
InChIKeyMLQZVFQZIHOONX-UHFFFAOYSA-N
MW303.30 g/mol
LogP3.16
Rot. Bonds4

About N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide

N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide (PubChem CID 5492977) has the molecular formula C13H9N3O4S and a molecular weight of 303.30 g/mol. Its IUPAC name is N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide
PubChem CID5492977
Molecular FormulaC13H9N3O4S
Molecular Weight303.30 g/mol
Exact Mass303.03
IUPAC NameN'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide
SMILESO=C(NNc1cc2ccccc2s1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H9N3O4S/c17-13(9-5-6-12(20-9)16(18)19)15-14-11-7-8-3-1-2-4-10(8)21-11/h1-7,14H,(H,15,17)
InChIKeyMLQZVFQZIHOONX-UHFFFAOYSA-N
XLogP3.16
TPSA97.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-nitro-N'-phenylfuran-2-carbohydrazide
CID 5462738
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N'-(2-methylquinolin-4-yl)-5-nitrofuran-2-carbohydrazide
CID 3714926
N'-(2-fluorobenzoyl)-5-nitrofuran-2-carbohydrazide
CID 102603103
1-amino-3-[(5-nitrofuran-2-carbonyl)amino]urea
CID 134117137
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N'-(2-amino-3-naphthalen-1-ylpropanoyl)-5-nitrofuran-2-carbohydrazide
CID 11654329
N-(2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 3269060
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-nitrofuran-2-carboxamide
CID 19630916
5-[(5-nitrofuran-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474864
N-(2-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 17146683
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide?
The IUPAC name of N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide (CID 5492977) is N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide.
What is the SMILES notation for N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide?
The canonical SMILES for N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide is O=C(NNc1cc2ccccc2s1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide?
The InChIKey is MLQZVFQZIHOONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4S/c17-13(9-5-6-12(20-9)16(18)19)15-14-11-7-8-3-1-2-4-10(8)21-11/h1-7,14H,(H,15,17).
What are the key properties of N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide?
N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide has a molecular weight of 303.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzothiophen-2-yl)-5-nitrofuran-2-carbohydrazide is sourced from PubChem (CID 5492977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).