2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide

C12H12BrN3O2S — CID 79533926

IUPAC2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1cc(Br)ccc1N
InChIInChI=1S/C12H12BrN3O2S/c13-7-1-2-9(14)11(5-7)19-6-10-8(3-4-18-10)12(17)16-15/h1-5H,6,14-15H2,(H,16,17)
InChIKeyJYYXZAJJOFJXSN-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.52
Rot. Bonds4

About 2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide

2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 79533926) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID79533926
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1cc(Br)ccc1N
InChIInChI=1S/C12H12BrN3O2S/c13-7-1-2-9(14)11(5-7)19-6-10-8(3-4-18-10)12(17)16-15/h1-5H,6,14-15H2,(H,16,17)
InChIKeyJYYXZAJJOFJXSN-UHFFFAOYSA-N
XLogP2.52
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-amino-5-bromophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79533674
2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 79141494
2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580649
2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 55214856
2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352521
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581538
2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581577
2-[2-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetic acid
CID 115461031
N-[2-(2-amino-5-bromophenyl)sulfanylacetyl]furan-2-carboxamide
CID 79533862
2-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581132
2-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66228175
2-(3-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66233707

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide (CID 79533926) is 2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1CSc1cc(Br)ccc1N.
What is the InChIKey of 2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is JYYXZAJJOFJXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c13-7-1-2-9(14)11(5-7)19-6-10-8(3-4-18-10)12(17)16-15/h1-5H,6,14-15H2,(H,16,17).
What are the key properties of 2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide?
2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 342.22 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 79533926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).