2-bromothiophene-3-carbohydrazide

C5H5BrN2OS — CID 59152527

IUPAC2-bromothiophene-3-carbohydrazide
SMILESNNC(=O)c1ccsc1Br
InChIInChI=1S/C5H5BrN2OS/c6-4-3(1-2-10-4)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKeyMNGHMNIFQHWWDM-UHFFFAOYSA-N
MW221.08 g/mol
LogP1.11
Rot. Bonds1

About 2-bromothiophene-3-carbohydrazide

2-bromothiophene-3-carbohydrazide (PubChem CID 59152527) has the molecular formula C5H5BrN2OS and a molecular weight of 221.08 g/mol. Its IUPAC name is 2-bromothiophene-3-carbohydrazide.

Molecular Properties

Compound Name2-bromothiophene-3-carbohydrazide
PubChem CID59152527
Molecular FormulaC5H5BrN2OS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC Name2-bromothiophene-3-carbohydrazide
SMILESNNC(=O)c1ccsc1Br
InChIInChI=1S/C5H5BrN2OS/c6-4-3(1-2-10-4)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKeyMNGHMNIFQHWWDM-UHFFFAOYSA-N
XLogP1.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thiophene-3-carbohydrazide
CID 468648
5-Bromothiophene-3-carboxamide
CID 18938063
2-Bromothiophene-3-carboxamide
CID 18938142
2-bromo-N-diaminophosphorylthiophene-3-carboxamide
CID 18938017
5-bromo-N-diaminophosphorylthiophene-3-carboxamide
CID 18938046
5-Bromo-3-thiophenecarboxylic acid hydrazide
CID 43132219
(Thiophene-3-carbonylamino)urea
CID 64207645
2,5-Dibromothiophene-3-carboxamide
CID 72183119
N'-acetylthiophene-3-carbohydrazide
CID 123302382
N'-methylthiophene-3-carbohydrazide
CID 130443742
N'-(3-methylbut-2-enoyl)thiophene-3-carbohydrazide
CID 140662677
ethyl N-[(5-bromothiophene-3-carbonyl)amino]carbamate
CID 37694822

Frequently Asked Questions

What is the IUPAC name of 2-bromothiophene-3-carbohydrazide?
The IUPAC name of 2-bromothiophene-3-carbohydrazide (CID 59152527) is 2-bromothiophene-3-carbohydrazide.
What is the SMILES notation for 2-bromothiophene-3-carbohydrazide?
The canonical SMILES for 2-bromothiophene-3-carbohydrazide is NNC(=O)c1ccsc1Br.
What is the InChIKey of 2-bromothiophene-3-carbohydrazide?
The InChIKey is MNGHMNIFQHWWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2OS/c6-4-3(1-2-10-4)5(9)8-7/h1-2H,7H2,(H,8,9).
What are the key properties of 2-bromothiophene-3-carbohydrazide?
2-bromothiophene-3-carbohydrazide has a molecular weight of 221.08 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromothiophene-3-carbohydrazide is sourced from PubChem (CID 59152527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).