5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide

C11H13BrN2O4S2 — CID 9154758

IUPAC5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H13BrN2O4S2/c12-9-2-1-8(19-9)11(16)14-13-10(15)5-7-3-4-20(17,18)6-7/h1-2,7H,3-6H2,(H,13,15)(H,14,16)/t7-/m0/s1
InChIKeyLUKGRKAWPAUZLT-ZETCQYMHSA-N
MW381.27 g/mol
LogP1.10
Rot. Bonds3

About 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide

5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide (PubChem CID 9154758) has the molecular formula C11H13BrN2O4S2 and a molecular weight of 381.27 g/mol. Its IUPAC name is 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide
PubChem CID9154758
Molecular FormulaC11H13BrN2O4S2
Molecular Weight381.27 g/mol
Exact Mass379.95
IUPAC Name5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H13BrN2O4S2/c12-9-2-1-8(19-9)11(16)14-13-10(15)5-7-3-4-20(17,18)6-7/h1-2,7H,3-6H2,(H,13,15)(H,14,16)/t7-/m0/s1
InChIKeyLUKGRKAWPAUZLT-ZETCQYMHSA-N
XLogP1.10
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-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

Related Compounds

N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 55408907
N-[(5-bromothiophen-2-yl)methyl]-2-(1,1-dioxothiolan-3-yl)acetamide
CID 60741009
3-bromo-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]benzohydrazide
CID 46464008
3-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 8938641
3-(4-bromophenyl)-N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-1H-pyrazole-5-carbohydrazide
CID 55463127
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-4-phenylbenzohydrazide
CID 42888277
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-4-propan-2-ylbenzohydrazide
CID 8938663
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 46463544
(5R)-5-tert-butyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 9426780
2-benzoyl-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 8938591
2-benzoyl-N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]benzohydrazide
CID 8938593
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-fluoro-4-methylbenzohydrazide
CID 8940088

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide (CID 9154758) is 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide is O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide?
The InChIKey is LUKGRKAWPAUZLT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13BrN2O4S2/c12-9-2-1-8(19-9)11(16)14-13-10(15)5-7-3-4-20(17,18)6-7/h1-2,7H,3-6H2,(H,13,15)(H,14,16)/t7-/m0/s1.
What are the key properties of 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide?
5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide has a molecular weight of 381.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9154758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).