N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide

C13H13BrN2O3S — CID 26784732

IUPACN'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide
SMILESCc1oc(C)c(C(=O)NNC(=O)c2ccc(Br)s2)c1C
InChIInChI=1S/C13H13BrN2O3S/c1-6-7(2)19-8(3)11(6)13(18)16-15-12(17)9-4-5-10(14)20-9/h4-5H,1-3H3,(H,15,17)(H,16,18)
InChIKeyRZIUMLUEPNDGBL-UHFFFAOYSA-N
MW357.23 g/mol
LogP3.10
Rot. Bonds2

About N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide

N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide (PubChem CID 26784732) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide
PubChem CID26784732
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC NameN'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide
SMILESCc1oc(C)c(C(=O)NNC(=O)c2ccc(Br)s2)c1C
InChIInChI=1S/C13H13BrN2O3S/c1-6-7(2)19-8(3)11(6)13(18)16-15-12(17)9-4-5-10(14)20-9/h4-5H,1-3H3,(H,15,17)(H,16,18)
InChIKeyRZIUMLUEPNDGBL-UHFFFAOYSA-N
XLogP3.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.10
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

N'-(5-bromothiophene-2-carbonyl)-3,5-dimethyl-1,2-oxazole-4-carbohydrazide
CID 9154627
N'-(5-bromothiophene-2-carbonyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 31729161
2-(5-bromothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 114967414
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
2,4,5-trimethyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)furan-3-carbohydrazide
CID 35822300
2,4,5-trimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 46636577
5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide
CID 31950441
5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697
N'-(5-bromothiophene-2-carbonyl)-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 9090843
5-bromo-N-[2-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 55821937
N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide (CID 26784732) is N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide is Cc1oc(C)c(C(=O)NNC(=O)c2ccc(Br)s2)c1C.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide?
The InChIKey is RZIUMLUEPNDGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-6-7(2)19-8(3)11(6)13(18)16-15-12(17)9-4-5-10(14)20-9/h4-5H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide has a molecular weight of 357.23 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophene-2-carbonyl)-2,4,5-trimethylfuran-3-carbohydrazide is sourced from PubChem (CID 26784732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).