N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide

C11H8FN3OS2 — CID 63022696

IUPACN-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=S)c1cc(NC(=O)c2cscn2)ccc1F
InChIInChI=1S/C11H8FN3OS2/c12-8-2-1-6(3-7(8)10(13)17)15-11(16)9-4-18-5-14-9/h1-5H,(H2,13,17)(H,15,16)
InChIKeyYCBQQQXAFZKBBX-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.17
Rot. Bonds3

About N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide

N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 63022696) has the molecular formula C11H8FN3OS2 and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID63022696
Molecular FormulaC11H8FN3OS2
Molecular Weight281.34 g/mol
Exact Mass281.01
IUPAC NameN-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=S)c1cc(NC(=O)c2cscn2)ccc1F
InChIInChI=1S/C11H8FN3OS2/c12-8-2-1-6(3-7(8)10(13)17)15-11(16)9-4-18-5-14-9/h1-5H,(H2,13,17)(H,15,16)
InChIKeyYCBQQQXAFZKBBX-UHFFFAOYSA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55057585
N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 60748722
N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
CID 62317895
N-(3-carbamothioyl-4-fluorophenyl)-4-chloro-3-fluorobenzamide
CID 107987783
N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 62318069
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
2-bromo-N-(3-carbamothioyl-4-fluorophenyl)benzamide
CID 62318065
N-[3-(dimethylcarbamoyl)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 71975443
5-bromo-N-(3-carbamothioyl-4-fluorophenyl)pyridine-3-carboxamide
CID 62316120
N-(3-carbamothioyl-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 55057681

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 63022696) is N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide is NC(=S)c1cc(NC(=O)c2cscn2)ccc1F.
What is the InChIKey of N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YCBQQQXAFZKBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3OS2/c12-8-2-1-6(3-7(8)10(13)17)15-11(16)9-4-18-5-14-9/h1-5H,(H2,13,17)(H,15,16).
What are the key properties of N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63022696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).