N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide

C7H9N3O3S — CID 2726411

IUPACN',N'-dimethyl-5-nitrothiophene-2-carbohydrazide
SMILESCN(C)NC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C7H9N3O3S/c1-9(2)8-7(11)5-3-4-6(14-5)10(12)13/h3-4H,1-2H3,(H,8,11)
InChIKeyFHQMEEDPQQISCS-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.86
Rot. Bonds3

About N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide

N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide (PubChem CID 2726411) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-5-nitrothiophene-2-carbohydrazide
PubChem CID2726411
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC NameN',N'-dimethyl-5-nitrothiophene-2-carbohydrazide
SMILESCN(C)NC(=O)c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C7H9N3O3S/c1-9(2)8-7(11)5-3-4-6(14-5)10(12)13/h3-4H,1-2H3,(H,8,11)
InChIKeyFHQMEEDPQQISCS-UHFFFAOYSA-N
XLogP0.86
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-nitro-N-prop-2-enylthiophene-5-carboxamide
CID 4208819
5-Nitrothiophene-2-carboxamide
CID 314710
5-Nitrothiophene-2-carbohydrazide
CID 5748629
Antitrypanosomal agent 19
CID 169450501
N-[4-(methylamino)-4-oxobutyl]-5-nitrothiophene-2-carboxamide
CID 177653024
3-Fluoro-5-nitrothiophene-2-carboxamide
CID 118978131
5-nitro-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
CID 4141781
5-nitro-N-(2,2,2-trifluoroethoxy)thiophene-2-carboxamide
CID 81340300
N-(Morpholin-4-yl)-5-nitrothiophene-2-carboxamide
CID 313641
5-nitro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)thiophene-2-carboxamide
CID 313642
5-Nitro-N-propyl-2-thiophenecarboxamide
CID 15907414
N-diaminophosphoryl-5-nitrothiophene-2-carboxamide
CID 18938037

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide?
The IUPAC name of N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide (CID 2726411) is N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide.
What is the SMILES notation for N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide?
The canonical SMILES for N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide is CN(C)NC(=O)c1ccc([N+](=O)[O-])s1.
What is the InChIKey of N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide?
The InChIKey is FHQMEEDPQQISCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c1-9(2)8-7(11)5-3-4-6(14-5)10(12)13/h3-4H,1-2H3,(H,8,11).
What are the key properties of N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide?
N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide has a molecular weight of 215.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-5-nitrothiophene-2-carbohydrazide is sourced from PubChem (CID 2726411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).