3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide

C15H15FN2O2S — CID 94757858

IUPAC3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide
SMILESNC(=S)CCn1cccc(OCc2ccccc2F)c1=O
InChIInChI=1S/C15H15FN2O2S/c16-12-5-2-1-4-11(12)10-20-13-6-3-8-18(15(13)19)9-7-14(17)21/h1-6,8H,7,9-10H2,(H2,17,21)
InChIKeyGHGWXDOAPQGUKQ-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.24
Rot. Bonds6

About 3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide

3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide (PubChem CID 94757858) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide
PubChem CID94757858
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide
SMILESNC(=S)CCn1cccc(OCc2ccccc2F)c1=O
InChIInChI=1S/C15H15FN2O2S/c16-12-5-2-1-4-11(12)10-20-13-6-3-8-18(15(13)19)9-7-14(17)21/h1-6,8H,7,9-10H2,(H2,17,21)
InChIKeyGHGWXDOAPQGUKQ-UHFFFAOYSA-N
XLogP2.24
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminobutyl)-3-[(2-fluorophenyl)methoxy]pyridin-2-one
CID 82144038
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 63937150
3-[(2-fluorophenyl)methoxy]-1H-pyridin-2-one
CID 82056014
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide
CID 82151265
4-(2-fluorophenoxy)butanethioamide
CID 24711611
2-(3-methoxy-2-oxo-1-pyridinyl)ethanethioamide
CID 82151240
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
3-chloro-4-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 61389088
N-carbamothioyl-4-[(2-fluorophenyl)methoxy]-3-methoxybenzamide
CID 132591186

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide?
The IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide (CID 94757858) is 3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide is NC(=S)CCn1cccc(OCc2ccccc2F)c1=O.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide?
The InChIKey is GHGWXDOAPQGUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-5-2-1-4-11(12)10-20-13-6-3-8-18(15(13)19)9-7-14(17)21/h1-6,8H,7,9-10H2,(H2,17,21).
What are the key properties of 3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide?
3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide has a molecular weight of 306.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]propanethioamide is sourced from PubChem (CID 94757858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).