N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide

C10H7BrN2O3S — CID 160707161

IUPACN-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide
SMILESNN(C(=O)c1ccco1)C(=O)c1sccc1Br
InChIInChI=1S/C10H7BrN2O3S/c11-6-3-5-17-8(6)10(15)13(12)9(14)7-2-1-4-16-7/h1-5H,12H2
InChIKeyRRJLVQOJDSMIGC-UHFFFAOYSA-N
MW315.15 g/mol
LogP2.26
Rot. Bonds2

About N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide

N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide (PubChem CID 160707161) has the molecular formula C10H7BrN2O3S and a molecular weight of 315.15 g/mol. Its IUPAC name is N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide
PubChem CID160707161
Molecular FormulaC10H7BrN2O3S
Molecular Weight315.15 g/mol
Exact Mass313.94
IUPAC NameN-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide
SMILESNN(C(=O)c1ccco1)C(=O)c1sccc1Br
InChIInChI=1S/C10H7BrN2O3S/c11-6-3-5-17-8(6)10(15)13(12)9(14)7-2-1-4-16-7/h1-5H,12H2
InChIKeyRRJLVQOJDSMIGC-UHFFFAOYSA-N
XLogP2.26
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide?
The IUPAC name of N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide (CID 160707161) is N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide.
What is the SMILES notation for N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide?
The canonical SMILES for N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide is NN(C(=O)c1ccco1)C(=O)c1sccc1Br.
What is the InChIKey of N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide?
The InChIKey is RRJLVQOJDSMIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3S/c11-6-3-5-17-8(6)10(15)13(12)9(14)7-2-1-4-16-7/h1-5H,12H2.
What are the key properties of N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide?
N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide has a molecular weight of 315.15 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromothiophene-2-carbonyl)furan-2-carbohydrazide is sourced from PubChem (CID 160707161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).