N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide

C10H7FN4OS2 — CID 65215147

IUPACN-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide
SMILESNC(=S)c1cc(NC(=O)c2cnns2)ccc1F
InChIInChI=1S/C10H7FN4OS2/c11-7-2-1-5(3-6(7)9(12)17)14-10(16)8-4-13-15-18-8/h1-4H,(H2,12,17)(H,14,16)
InChIKeyCNMMBCKRUCCVIY-UHFFFAOYSA-N
MW282.33 g/mol
LogP1.56
Rot. Bonds3

About N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide

N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide (PubChem CID 65215147) has the molecular formula C10H7FN4OS2 and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide
PubChem CID65215147
Molecular FormulaC10H7FN4OS2
Molecular Weight282.33 g/mol
Exact Mass282.00
IUPAC NameN-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide
SMILESNC(=S)c1cc(NC(=O)c2cnns2)ccc1F
InChIInChI=1S/C10H7FN4OS2/c11-7-2-1-5(3-6(7)9(12)17)14-10(16)8-4-13-15-18-8/h1-4H,(H2,12,17)(H,14,16)
InChIKeyCNMMBCKRUCCVIY-UHFFFAOYSA-N
XLogP1.56
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide (CID 65215147) is N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide is NC(=S)c1cc(NC(=O)c2cnns2)ccc1F.
What is the InChIKey of N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide?
The InChIKey is CNMMBCKRUCCVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4OS2/c11-7-2-1-5(3-6(7)9(12)17)14-10(16)8-4-13-15-18-8/h1-4H,(H2,12,17)(H,14,16).
What are the key properties of N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide?
N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioyl-4-fluorophenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65215147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).