N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide

C15H19FN2O2S — CID 65156416

IUPACN-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2cccc(F)c2C(N)=S)C1C
InChIInChI=1S/C15H19FN2O2S/c1-7-8(2)20-9(3)12(7)15(19)18-11-6-4-5-10(16)13(11)14(17)21/h4-9,12H,1-3H3,(H2,17,21)(H,18,19)
InChIKeyWAWGVCILYNZLHO-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.46
Rot. Bonds3

About N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65156416) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65156416
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC NameN-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)Nc2cccc(F)c2C(N)=S)C1C
InChIInChI=1S/C15H19FN2O2S/c1-7-8(2)20-9(3)12(7)15(19)18-11-6-4-5-10(16)13(11)14(17)21/h4-9,12H,1-3H3,(H2,17,21)(H,18,19)
InChIKeyWAWGVCILYNZLHO-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-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

N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
CID 43580877
2-methyl-6-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157289
N-(2-carbamothioyl-5-chlorophenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155869
N-(4-bromo-2-carbamothioylphenyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 82693983
N-[2-(1-aminoethyl)phenyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65156905
1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea
CID 43581005
1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015
3-fluoro-4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]benzoic acid
CID 65157238
N-(2-carbamothioyl-3-fluorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394761
N-(2-carbamothioyl-3-fluorophenyl)-2-cyclopropylpropanamide
CID 83154703
1-(2-carbamothioyl-3-fluorophenyl)-3-cyclobutylurea
CID 116658288
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
CID 82985432

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65156416) is N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)Nc2cccc(F)c2C(N)=S)C1C.
What is the InChIKey of N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is WAWGVCILYNZLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-7-8(2)20-9(3)12(7)15(19)18-11-6-4-5-10(16)13(11)14(17)21/h4-9,12H,1-3H3,(H2,17,21)(H,18,19).
What are the key properties of N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-fluorophenyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65156416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).