5-bromothiophene-2-carbohydrazide

C5H5BrN2OS — CID 2063863

IUPAC5-bromothiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Br)s1
InChIInChI=1S/C5H5BrN2OS/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKeyOFXZACLPQYOIAV-UHFFFAOYSA-N
MW221.08 g/mol
LogP1.11
Rot. Bonds1

About 5-bromothiophene-2-carbohydrazide

5-bromothiophene-2-carbohydrazide (PubChem CID 2063863) has the molecular formula C5H5BrN2OS and a molecular weight of 221.08 g/mol. Its IUPAC name is 5-bromothiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromothiophene-2-carbohydrazide
PubChem CID2063863
Molecular FormulaC5H5BrN2OS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC Name5-bromothiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(Br)s1
InChIInChI=1S/C5H5BrN2OS/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9)
InChIKeyOFXZACLPQYOIAV-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

4-Bromothiophene-2-carbohydrazide
CID 843260
5-bromo-N-(4-methyl-1-piperazinyl)-2-thiophenecarboxamide
CID 2225205
Thiophene-2-carbohydrazide
CID 73098
4,5-dibromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 2438343
4,5-Dibromothiophene-2-carbohydrazide
CID 1224897
5-bromo-N-hydroxythiophene-2-carboxamide
CID 4962509
5-Bromothiophene-2-carboxamide
CID 605722
5-Methylthiophene-2-carbohydrazide
CID 2760085
3-Bromothiophene-2-carboxamide
CID 605721
5-Ethylthiophene-2-carbohydrazide
CID 2758912
4-Bromo-2-thiophenecarboxamide
CID 12836067
N-[(aminothioxomethyl)amino]-2-thienylcarboxamide
CID 716850

Frequently Asked Questions

What is the IUPAC name of 5-bromothiophene-2-carbohydrazide?
The IUPAC name of 5-bromothiophene-2-carbohydrazide (CID 2063863) is 5-bromothiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromothiophene-2-carbohydrazide?
The canonical SMILES for 5-bromothiophene-2-carbohydrazide is NNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromothiophene-2-carbohydrazide?
The InChIKey is OFXZACLPQYOIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2OS/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9).
What are the key properties of 5-bromothiophene-2-carbohydrazide?
5-bromothiophene-2-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 5-bromothiophene-2-carbohydrazide is sourced from PubChem (CID 2063863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).