1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide

C13H13FN2O2S — CID 175198805

IUPAC1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide
SMILESCc1c(F)cccc1N1CCC(O)=C(C(N)=S)C1=O
InChIInChI=1S/C13H13FN2O2S/c1-7-8(14)3-2-4-9(7)16-6-5-10(17)11(12(15)19)13(16)18/h2-4,17H,5-6H2,1H3,(H2,15,19)
InChIKeyNGHBPCPEDWCIDN-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.97
Rot. Bonds2

About 1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide

1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide (PubChem CID 175198805) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide
PubChem CID175198805
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide
SMILESCc1c(F)cccc1N1CCC(O)=C(C(N)=S)C1=O
InChIInChI=1S/C13H13FN2O2S/c1-7-8(14)3-2-4-9(7)16-6-5-10(17)11(12(15)19)13(16)18/h2-4,17H,5-6H2,1H3,(H2,15,19)
InChIKeyNGHBPCPEDWCIDN-UHFFFAOYSA-N
XLogP1.97
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.97
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-acetamido-N-(4-fluoro-2-methylphenyl)propanamide
CID 2438691
3-acetamido-N-(5-fluoro-2-methylphenyl)propanamide
CID 4879619
3-(7-Fluoro-2-oxo-1(2H)-quinolinyl)propanoic acid
CID 68553791
3-(5,7-Difluoro-2-oxoquinolin-1-yl)propanoic acid
CID 68555141
3-(5-Fluoro-2-oxo-1(2H)-quinolinyl)propanoic acid
CID 68556203
N-(2-fluoro-6-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103925119
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 118336697
3-(7-Fluoro-2-oxoquinolin-1-yl)propanamide
CID 118936294
6-Fluoro-1-methyl-2-oxoquinoline-3-carboxamide
CID 123472678
5-[1-(3-fluoroanilino)ethenyl]-4-hydroxy-2,3-dihydro-1H-pyridin-6-one
CID 134177563
N-(4-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
CID 137046323
Tert-butyl 5-[(3-fluorophenyl)carbamothioyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-1-carboxylate
CID 137046328

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide (CID 175198805) is 1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide is Cc1c(F)cccc1N1CCC(O)=C(C(N)=S)C1=O.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide?
The InChIKey is NGHBPCPEDWCIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-7-8(14)3-2-4-9(7)16-6-5-10(17)11(12(15)19)13(16)18/h2-4,17H,5-6H2,1H3,(H2,15,19).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide?
1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide has a molecular weight of 280.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbothioamide is sourced from PubChem (CID 175198805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).