N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide

C11H10FN3OS2 — CID 833913

IUPACN-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide
SMILESO=C(NC(=S)NC1=NCCS1)c1ccccc1F
InChIInChI=1S/C11H10FN3OS2/c12-8-4-2-1-3-7(8)9(16)14-10(17)15-11-13-5-6-18-11/h1-4H,5-6H2,(H2,13,14,15,16,17)
InChIKeyXIBUETZXELKEQN-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.53
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide

N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide (PubChem CID 833913) has the molecular formula C11H10FN3OS2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide
PubChem CID833913
Molecular FormulaC11H10FN3OS2
Molecular Weight283.35 g/mol
Exact Mass283.02
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide
SMILESO=C(NC(=S)NC1=NCCS1)c1ccccc1F
InChIInChI=1S/C11H10FN3OS2/c12-8-4-2-1-3-7(8)9(16)14-10(17)15-11-13-5-6-18-11/h1-4H,5-6H2,(H2,13,14,15,16,17)
InChIKeyXIBUETZXELKEQN-UHFFFAOYSA-N
XLogP1.53
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide 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-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 2859080
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 4801992
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-fluorobenzamide
CID 888685
2-[(2-fluorobenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 4950387
2-fluoro-N-[[8-[(2-fluorobenzoyl)carbamothioylamino]naphthalen-1-yl]carbamothioyl]benzamide
CID 2196206
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide
CID 54787169
4-[(2-fluorobenzoyl)carbamothioylamino]benzoate
CID 7316472
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-(cyclohexylcarbamothioyl)-2-fluorobenzamide
CID 4950383
2-fluoro-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 1298874
N-[(3,4-dimethylphenyl)carbamothioyl]-2-fluorobenzamide
CID 881377
2-fluoro-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide
CID 833904

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide (CID 833913) is N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide is O=C(NC(=S)NC1=NCCS1)c1ccccc1F.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide?
The InChIKey is XIBUETZXELKEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS2/c12-8-4-2-1-3-7(8)9(16)14-10(17)15-11-13-5-6-18-11/h1-4H,5-6H2,(H2,13,14,15,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide?
N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide has a molecular weight of 283.35 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-ylcarbamothioyl)-2-fluorobenzamide is sourced from PubChem (CID 833913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).