N'-(2-bromobenzoyl)thiophene-2-carbohydrazide

C12H9BrN2O2S — CID 809174

IUPACN'-(2-bromobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1cccs1
InChIInChI=1S/C12H9BrN2O2S/c13-9-5-2-1-4-8(9)11(16)14-15-12(17)10-6-3-7-18-10/h1-7H,(H,14,16)(H,15,17)
InChIKeyKNBLMVCXJKGMQR-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.59
Rot. Bonds2

About N'-(2-bromobenzoyl)thiophene-2-carbohydrazide

N'-(2-bromobenzoyl)thiophene-2-carbohydrazide (PubChem CID 809174) has the molecular formula C12H9BrN2O2S and a molecular weight of 325.19 g/mol. Its IUPAC name is N'-(2-bromobenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromobenzoyl)thiophene-2-carbohydrazide
PubChem CID809174
Molecular FormulaC12H9BrN2O2S
Molecular Weight325.19 g/mol
Exact Mass323.96
IUPAC NameN'-(2-bromobenzoyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Br)c1cccs1
InChIInChI=1S/C12H9BrN2O2S/c13-9-5-2-1-4-8(9)11(16)14-15-12(17)10-6-3-7-18-10/h1-7H,(H,14,16)(H,15,17)
InChIKeyKNBLMVCXJKGMQR-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromobenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2-bromobenzoyl)thiophene-2-carbohydrazide (CID 809174) is N'-(2-bromobenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2-bromobenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2-bromobenzoyl)thiophene-2-carbohydrazide is O=C(NNC(=O)c1ccccc1Br)c1cccs1.
What is the InChIKey of N'-(2-bromobenzoyl)thiophene-2-carbohydrazide?
The InChIKey is KNBLMVCXJKGMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2S/c13-9-5-2-1-4-8(9)11(16)14-15-12(17)10-6-3-7-18-10/h1-7H,(H,14,16)(H,15,17).
What are the key properties of N'-(2-bromobenzoyl)thiophene-2-carbohydrazide?
N'-(2-bromobenzoyl)thiophene-2-carbohydrazide has a molecular weight of 325.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromobenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 809174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).