N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C17H19FN4O3S — CID 86822231

IUPACN-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NNC(=S)NCc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H19FN4O3S/c1-10-7-14(11(2)25-10)16(24)19-9-15(23)21-22-17(26)20-8-12-3-5-13(18)6-4-12/h3-7H,8-9H2,1-2H3,(H,19,24)(H,21,23)(H2,20,22,26)
InChIKeyIYSJOUDCZMBXCA-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.46
Rot. Bonds5

About N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 86822231) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID86822231
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC NameN-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NNC(=S)NCc2ccc(F)cc2)c(C)o1
InChIInChI=1S/C17H19FN4O3S/c1-10-7-14(11(2)25-10)16(24)19-9-15(23)21-22-17(26)20-8-12-3-5-13(18)6-4-12/h3-7H,8-9H2,1-2H3,(H,19,24)(H,21,23)(H2,20,22,26)
InChIKeyIYSJOUDCZMBXCA-UHFFFAOYSA-N
XLogP1.46
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide 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

2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55890647
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584278
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 8942076
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55910128
N-[2-[4-(4-fluorophenoxy)butylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55873980
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
CID 61127079
1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea
CID 8942130
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-(2-methylpropyl)furan-3-carboxamide
CID 4181128
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865
N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-2,5-dimethyl-N-pentylfuran-3-carboxamide
CID 4148902
1-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-3-[(4-methylphenyl)methyl]thiourea
CID 17373657

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 86822231) is N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)NNC(=S)NCc2ccc(F)cc2)c(C)o1.
What is the InChIKey of N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is IYSJOUDCZMBXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-10-7-14(11(2)25-10)16(24)19-9-15(23)21-22-17(26)20-8-12-3-5-13(18)6-4-12/h3-7H,8-9H2,1-2H3,(H,19,24)(H,21,23)(H2,20,22,26).
What are the key properties of N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 86822231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).