4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide

C9H8Br2N2O2S — CID 2438343

IUPAC4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H8Br2N2O2S/c10-5-3-6(16-7(5)11)9(15)13-12-8(14)4-1-2-4/h3-4H,1-2H2,(H,12,14)(H,13,15)
InChIKeyZUAVFDOQDJPXQR-UHFFFAOYSA-N
MW368.05 g/mol
LogP2.44
Rot. Bonds2

About 4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide

4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide (PubChem CID 2438343) has the molecular formula C9H8Br2N2O2S and a molecular weight of 368.05 g/mol. Its IUPAC name is 4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
PubChem CID2438343
Molecular FormulaC9H8Br2N2O2S
Molecular Weight368.05 g/mol
Exact Mass365.87
IUPAC Name4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H8Br2N2O2S/c10-5-3-6(16-7(5)11)9(15)13-12-8(14)4-1-2-4/h3-4H,1-2H2,(H,12,14)(H,13,15)
InChIKeyZUAVFDOQDJPXQR-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.05
LogP ≤ 52.44
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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Related Compounds

4-Bromothiophene-2-carbohydrazide
CID 843260
4,5-Dibromothiophene-2-carbohydrazide
CID 1224897
5-Bromothiophene-2-carbohydrazide
CID 2063863
4-Bromo-5-methylthiophene-2-carbohydrazide
CID 12969333
4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 24641245
5-bromo-N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide
CID 4847342
5-bromo-N'-(thiophene-2-carbonyl)thiophene-2-carbohydrazide
CID 732555
5-bromo-N'-butanoylthiophene-2-carbohydrazide
CID 25226343
N'-(6-bromohexanoyl)thiophene-2-carbohydrazide
CID 25226344
N'-(6-bromohexanoyl)-5-methylthiophene-2-carbohydrazide
CID 25226349
5-bromo-N'-heptanoylthiophene-2-carbohydrazide
CID 25226522
3-bromo-N'-heptanoylthiophene-2-carbohydrazide
CID 25226523

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide?
The IUPAC name of 4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide (CID 2438343) is 4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide?
The canonical SMILES for 4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide is O=C(NNC(=O)C1CC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide?
The InChIKey is ZUAVFDOQDJPXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2O2S/c10-5-3-6(16-7(5)11)9(15)13-12-8(14)4-1-2-4/h3-4H,1-2H2,(H,12,14)(H,13,15).
What are the key properties of 4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide?
4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide has a molecular weight of 368.05 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 2438343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).