N-(4-fluorophenyl)pyridine-2-carbothioamide

C12H9FN2S — CID 14510216

IUPACN-(4-fluorophenyl)pyridine-2-carbothioamide
SMILESFc1ccc(NC(=S)c2ccccn2)cc1
InChIInChI=1S/C12H9FN2S/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11/h1-8H,(H,15,16)
InChIKeyKWSOCPDBPOSYAQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.01
Rot. Bonds2

About N-(4-fluorophenyl)pyridine-2-carbothioamide

N-(4-fluorophenyl)pyridine-2-carbothioamide (PubChem CID 14510216) has the molecular formula C12H9FN2S and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)pyridine-2-carbothioamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)pyridine-2-carbothioamide
PubChem CID14510216
Molecular FormulaC12H9FN2S
Molecular Weight232.28 g/mol
Exact Mass232.05
IUPAC NameN-(4-fluorophenyl)pyridine-2-carbothioamide
SMILESFc1ccc(NC(=S)c2ccccn2)cc1
InChIInChI=1S/C12H9FN2S/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11/h1-8H,(H,15,16)
InChIKeyKWSOCPDBPOSYAQ-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(pyridine-2-carbothioylamino)phenyl]pyridine-2-carbothioamide
CID 15592021
N-(4-methylsulfanylphenyl)pyridine-2-carbothioamide
CID 14510213
N-(4-methylsulfinylphenyl)pyridine-2-carbothioamide
CID 14510237
N-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 10493507
N-(4-chloro-3-sulfanylphenyl)pyridine-2-carbothioamide
CID 154643122
N-[3-[dideuterio(fluoro)methyl]sulfanyl-4-fluorophenyl]pyridine-2-carbothioamide
CID 164738405
N-[3-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carbothioamide
CID 14510226
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carbothioamide
CID 164738417
N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 59733537
N-(2,4-dimethylphenyl)pyridine-2-carbothioamide
CID 802201
1-(4-fluorophenyl)-3-pyrimidin-2-ylurea
CID 4066669

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)pyridine-2-carbothioamide?
The IUPAC name of N-(4-fluorophenyl)pyridine-2-carbothioamide (CID 14510216) is N-(4-fluorophenyl)pyridine-2-carbothioamide.
What is the SMILES notation for N-(4-fluorophenyl)pyridine-2-carbothioamide?
The canonical SMILES for N-(4-fluorophenyl)pyridine-2-carbothioamide is Fc1ccc(NC(=S)c2ccccn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)pyridine-2-carbothioamide?
The InChIKey is KWSOCPDBPOSYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2S/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11/h1-8H,(H,15,16).
What are the key properties of N-(4-fluorophenyl)pyridine-2-carbothioamide?
N-(4-fluorophenyl)pyridine-2-carbothioamide has a molecular weight of 232.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)pyridine-2-carbothioamide is sourced from PubChem (CID 14510216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).