4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide

C17H12FN3OS — CID 3884706

IUPAC4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2ncccc12)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS/c18-12-8-6-11(7-9-12)16(22)21-17(23)20-15-5-1-4-14-13(15)3-2-10-19-14/h1-10H,(H2,20,21,22,23)
InChIKeyLIBOXGLJOXVTCW-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.50
Rot. Bonds2

About 4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide

4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide (PubChem CID 3884706) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide
PubChem CID3884706
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide
SMILESO=C(NC(=S)Nc1cccc2ncccc12)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS/c18-12-8-6-11(7-9-12)16(22)21-17(23)20-15-5-1-4-14-13(15)3-2-10-19-14/h1-10H,(H2,20,21,22,23)
InChIKeyLIBOXGLJOXVTCW-UHFFFAOYSA-N
XLogP3.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3965193
3,5-dimethoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 3933855
3-bromo-4-methoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 4027215
1-carbamothioyl-3-quinolin-5-ylthiourea
CID 24835821
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
quinolin-5-ylthiourea
CID 1471601
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
7-fluoro-N-quinolin-5-yl-1,4-dihydroquinoline-2-carboxamide
CID 144935653
2-[(4-fluorobenzoyl)carbamothioylamino]benzamide
CID 2245625
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
4-fluoro-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 881642
N-quinolin-5-yl-1H-pyrazole-5-carboxamide
CID 47177311

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide?
The IUPAC name of 4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide (CID 3884706) is 4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide?
The canonical SMILES for 4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide is O=C(NC(=S)Nc1cccc2ncccc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide?
The InChIKey is LIBOXGLJOXVTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c18-12-8-6-11(7-9-12)16(22)21-17(23)20-15-5-1-4-14-13(15)3-2-10-19-14/h1-10H,(H2,20,21,22,23).
What are the key properties of 4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide?
4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(quinolin-5-ylcarbamothioyl)benzamide is sourced from PubChem (CID 3884706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).