4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide

C13H9Br2FN2O2S2 — CID 24641245

IUPAC4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H9Br2FN2O2S2/c14-7-5-10(22-12(7)15)13(20)18-17-11(19)6-21-9-4-2-1-3-8(9)16/h1-5H,6H2,(H,17,19)(H,18,20)
InChIKeyHYPVUSGBGHBQQQ-UHFFFAOYSA-N
MW468.17 g/mol
LogP3.97
Rot. Bonds4

About 4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide

4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide (PubChem CID 24641245) has the molecular formula C13H9Br2FN2O2S2 and a molecular weight of 468.17 g/mol. Its IUPAC name is 4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide
PubChem CID24641245
Molecular FormulaC13H9Br2FN2O2S2
Molecular Weight468.17 g/mol
Exact Mass465.85
IUPAC Name4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H9Br2FN2O2S2/c14-7-5-10(22-12(7)15)13(20)18-17-11(19)6-21-9-4-2-1-3-8(9)16/h1-5H,6H2,(H,17,19)(H,18,20)
InChIKeyHYPVUSGBGHBQQQ-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.17
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-Bromo-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 766481
2-Bromo-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 809174
4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 2438343
N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide
CID 4795272
4,5-Dibromothiophene-2-carbohydrazide
CID 1224897
N'-[(4-bromophenyl)sulfonyl]-2-thiophenecarbohydrazide
CID 1114100
N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide
CID 4792986
N'-(4-fluorophenyl)sulfonylthiophene-2-carbohydrazide
CID 809450
1-(4-Bromo-5-methyl-2-thienoyl)-2-benzoylhydrazine
CID 12969331
N'-[3-(4-fluorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 923645
N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 923646

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide?
The IUPAC name of 4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide (CID 24641245) is 4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide?
The canonical SMILES for 4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide is O=C(CSc1ccccc1F)NNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide?
The InChIKey is HYPVUSGBGHBQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FN2O2S2/c14-7-5-10(22-12(7)15)13(20)18-17-11(19)6-21-9-4-2-1-3-8(9)16/h1-5H,6H2,(H,17,19)(H,18,20).
What are the key properties of 4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide?
4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide has a molecular weight of 468.17 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 24641245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).