2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide

C12H12FN3O2S — CID 79141494

IUPAC2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1ccc(N)c(F)c1
InChIInChI=1S/C12H12FN3O2S/c13-9-5-7(1-2-10(9)14)19-6-11-8(3-4-18-11)12(17)16-15/h1-5H,6,14-15H2,(H,16,17)
InChIKeyGNBYOORWJABXQE-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.90
Rot. Bonds4

About 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide

2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 79141494) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID79141494
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1ccc(N)c(F)c1
InChIInChI=1S/C12H12FN3O2S/c13-9-5-7(1-2-10(9)14)19-6-11-8(3-4-18-11)12(17)16-15/h1-5H,6,14-15H2,(H,16,17)
InChIKeyGNBYOORWJABXQE-UHFFFAOYSA-N
XLogP1.90
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.90
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'}

Analyze 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581577
5-[(4-amino-3-fluorophenyl)sulfanylmethyl]-2-methylfuran-3-carbohydrazide
CID 79141754
2-[(2,5-difluorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580649
2-[(2-amino-5-bromophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 79533926
2-[(2,5-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 55214856
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581538
2-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581132
2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline
CID 79140828
2-fluoro-4-[(5-methylfuran-2-yl)methylsulfanyl]aniline
CID 79141898
4-[(3,4-difluorophenyl)methylsulfanyl]-2-fluoroaniline
CID 82918266
2-(4-amino-3-fluorophenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79140915
3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581391

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide (CID 79141494) is 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1CSc1ccc(N)c(F)c1.
What is the InChIKey of 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is GNBYOORWJABXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-9-5-7(1-2-10(9)14)19-6-11-8(3-4-18-11)12(17)16-15/h1-5H,6,14-15H2,(H,16,17).
What are the key properties of 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide?
2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 281.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-fluorophenyl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 79141494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).