N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide

C10H6BrN3O4S2 — CID 26662499

IUPACN'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)s1
InChIInChI=1S/C10H6BrN3O4S2/c11-7-3-1-5(19-7)9(15)12-13-10(16)6-2-4-8(20-6)14(17)18/h1-4H,(H,12,15)(H,13,16)
InChIKeyOAARFFCPAKUNJP-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.56
Rot. Bonds3

About N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide

N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide (PubChem CID 26662499) has the molecular formula C10H6BrN3O4S2 and a molecular weight of 376.21 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
PubChem CID26662499
Molecular FormulaC10H6BrN3O4S2
Molecular Weight376.21 g/mol
Exact Mass374.90
IUPAC NameN'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)s1
InChIInChI=1S/C10H6BrN3O4S2/c11-7-3-1-5(19-7)9(15)12-13-10(16)6-2-4-8(20-6)14(17)18/h1-4H,(H,12,15)(H,13,16)
InChIKeyOAARFFCPAKUNJP-UHFFFAOYSA-N
XLogP2.56
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.56
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

N-hydroxy-5-nitrothiophene-2-carboxamide
CID 103601594
N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide
CID 26641123
N'-(5-nitrothiophene-2-carbonyl)quinoline-2-carbohydrazide
CID 35067362
5-bromo-N'-(4-methoxy-3-nitrobenzoyl)thiophene-2-carbohydrazide
CID 31728771
N-(3-bromo-4-fluorophenyl)-5-nitrothiophene-2-carboxamide
CID 113245227
N-(2-bromo-5-chlorophenyl)-5-nitrothiophene-2-carboxamide
CID 113266436
5-bromo-N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 1245199
5-bromo-N-(2-fluoro-6-nitrophenyl)thiophene-2-carboxamide
CID 81311760
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
5-bromo-N-[(4-nitrophenyl)methyl]thiophene-2-carboxamide
CID 47311870
N-(2-chloroprop-2-enyl)-5-nitrothiophene-2-carboxamide
CID 115636478

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide (CID 26662499) is N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide is O=C(NNC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Br)s1.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide?
The InChIKey is OAARFFCPAKUNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O4S2/c11-7-3-1-5(19-7)9(15)12-13-10(16)6-2-4-8(20-6)14(17)18/h1-4H,(H,12,15)(H,13,16).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide has a molecular weight of 376.21 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide is sourced from PubChem (CID 26662499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).