N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide

C13H13FN2O2S — CID 142566462

IUPACN-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESCc1c(F)cccc1NC(=S)C1=C(O)CCNC1=O
InChIInChI=1S/C13H13FN2O2S/c1-7-8(14)3-2-4-9(7)16-13(19)11-10(17)5-6-15-12(11)18/h2-4,17H,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyDGTQIVQTAYNZOT-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.21
Rot. Bonds2

About N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide

N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (PubChem CID 142566462) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
PubChem CID142566462
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESCc1c(F)cccc1NC(=S)C1=C(O)CCNC1=O
InChIInChI=1S/C13H13FN2O2S/c1-7-8(14)3-2-4-9(7)16-13(19)11-10(17)5-6-15-12(11)18/h2-4,17H,5-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyDGTQIVQTAYNZOT-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
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
US10428063, Example 1
CID 137046321
3-acetamido-N-(5-fluoro-2-methylphenyl)propanamide
CID 4879619
2-oxo-N-(2-sulfanylethyl)-1H-quinoline-3-carboxamide
CID 177680551
3-acetamido-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2521195
3-(Aminomethyl)-7-fluoroquinolin-2(1H)-one
CID 24265157
3-Amino-N-(4-fluoro-2-methylphenyl)propanamide
CID 16788158
2-sulfanylidene-N-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
CID 23151030
N-[(2-acetamido-4-fluorophenyl)methyl]acetamide
CID 70037729
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2,3-dimethylbutanamide
CID 118334211
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 118336697
N-(4-fluorophenyl)-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 118495709

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (CID 142566462) is N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is Cc1c(F)cccc1NC(=S)C1=C(O)CCNC1=O.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The InChIKey is DGTQIVQTAYNZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-7-8(14)3-2-4-9(7)16-13(19)11-10(17)5-6-15-12(11)18/h2-4,17H,5-6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide has a molecular weight of 280.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is sourced from PubChem (CID 142566462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).