8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane

C19H20F3N3OS — CID 143968450

IUPAC8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane
SMILESCF.NC1=NC2(c3cc(-c4cccnc4F)ccc3F)COCCC2CS1
InChIInChI=1S/C18H17F2N3OS.CH3F/c19-15-4-3-11(13-2-1-6-22-16(13)20)8-14(15)18-10-24-7-5-12(18)9-25-17(21)23-18;1-2/h1-4,6,8,12H,5,7,9-10H2,(H2,21,23);1H3
InChIKeyQAMCDSWFHZTMPW-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.91
Rot. Bonds2

About 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane

8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane (PubChem CID 143968450) has the molecular formula C19H20F3N3OS and a molecular weight of 395.45 g/mol. Its IUPAC name is 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane.

Molecular Properties

Compound Name8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane
PubChem CID143968450
Molecular FormulaC19H20F3N3OS
Molecular Weight395.45 g/mol
Exact Mass395.13
IUPAC Name8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane
SMILESCF.NC1=NC2(c3cc(-c4cccnc4F)ccc3F)COCCC2CS1
InChIInChI=1S/C18H17F2N3OS.CH3F/c19-15-4-3-11(13-2-1-6-22-16(13)20)8-14(15)18-10-24-7-5-12(18)9-25-17(21)23-18;1-2/h1-4,6,8,12H,5,7,9-10H2,(H2,21,23);1H3
InChIKeyQAMCDSWFHZTMPW-UHFFFAOYSA-N
XLogP3.91
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane with MolForge

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Related Compounds

(8aS)-8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 70227755
(4aR,8aR)-8a-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 58405983
(4aS,5R,7aS)-7a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-5-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 57415247
(4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 58376896
(4aR,8aS)-8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-1-methyl-2,4,4a,5,6,8-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
CID 67217025
(4aS,8aR)-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71277796
(4aS,7aS)-7a-(2-fluoro-5-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 50903138
N-[3-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68586164
(10aR)-8-(2-fluoro-3-pyridinyl)spiro[3,4,4a,10a-tetrahydro-2H-pyrano[3,2-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine
CID 67950213
(1R,4aR,10R,10aR)-8-(2-fluoro-3-pyridinyl)-1-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine
CID 67971826
(10R,10aS)-8-(2-fluoro-3-pyridinyl)-1-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,4'-5H-1,3-thiazole]-2'-amine
CID 67950173
[(4aR,7aS)-7a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-2-yl]carbamic acid
CID 68779924

Frequently Asked Questions

What is the IUPAC name of 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane?
The IUPAC name of 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane (CID 143968450) is 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane.
What is the SMILES notation for 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane?
The canonical SMILES for 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane is CF.NC1=NC2(c3cc(-c4cccnc4F)ccc3F)COCCC2CS1.
What is the InChIKey of 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane?
The InChIKey is QAMCDSWFHZTMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3OS.CH3F/c19-15-4-3-11(13-2-1-6-22-16(13)20)8-14(15)18-10-24-7-5-12(18)9-25-17(21)23-18;1-2/h1-4,6,8,12H,5,7,9-10H2,(H2,21,23);1H3.
What are the key properties of 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane?
8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane has a molecular weight of 395.45 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;fluoromethane is sourced from PubChem (CID 143968450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).