6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one

C7H5FN2OS — CID 142907207

IUPAC6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one
SMILESO=C1Nc2ncc(F)cc2CS1
InChIInChI=1S/C7H5FN2OS/c8-5-1-4-3-12-7(11)10-6(4)9-2-5/h1-2H,3H2,(H,9,10,11)
InChIKeyZEVYABADGBHWMX-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.00
Rot. Bonds

About 6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one

6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one (PubChem CID 142907207) has the molecular formula C7H5FN2OS and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one.

Molecular Properties

Compound Name6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one
PubChem CID142907207
Molecular FormulaC7H5FN2OS
Molecular Weight184.19 g/mol
Exact Mass184.01
IUPAC Name6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one
SMILESO=C1Nc2ncc(F)cc2CS1
InChIInChI=1S/C7H5FN2OS/c8-5-1-4-3-12-7(11)10-6(4)9-2-5/h1-2H,3H2,(H,9,10,11)
InChIKeyZEVYABADGBHWMX-UHFFFAOYSA-N
XLogP2.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluorospiro[1,4-dihydro-1,8-naphthyridine-3,4'-cyclohexane]-1',2-dione
CID 144753731
3-fluoro-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine
CID 84653474
5-fluoro-1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium
CID 58259292
N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171496897
3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde
CID 155072549
6-fluoro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
CID 68816242
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
CID 66570659
5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 15504071
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 171497120
5-pyrimidin-5-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 101123211
trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide
CID 167722785
3-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 133063202

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one?
The IUPAC name of 6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one (CID 142907207) is 6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one.
What is the SMILES notation for 6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one?
The canonical SMILES for 6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one is O=C1Nc2ncc(F)cc2CS1.
What is the InChIKey of 6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one?
The InChIKey is ZEVYABADGBHWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2OS/c8-5-1-4-3-12-7(11)10-6(4)9-2-5/h1-2H,3H2,(H,9,10,11).
What are the key properties of 6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one?
6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one has a molecular weight of 184.19 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,4-dihydropyrido[2,3-d][1,3]thiazin-2-one is sourced from PubChem (CID 142907207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).