(4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane

C19H23FN4O2S — CID 143968496

IUPAC(4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane
SMILESCOC.NC1=N[C@@]2(c3cc(-c4cccnn4)ccc3F)COCC[C@H]2CS1
InChIInChI=1S/C17H17FN4OS.C2H6O/c18-14-4-3-11(15-2-1-6-20-22-15)8-13(14)17-10-23-7-5-12(17)9-24-16(19)21-17;1-3-2/h1-4,6,8,12H,5,7,9-10H2,(H2,19,21);1-2H3/t12-,17-;/m0./s1
InChIKeyPZXUFSWODDDZHG-XHXSRVRCSA-N
MW390.48 g/mol
LogP2.84
Rot. Bonds2

About (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane

(4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane (PubChem CID 143968496) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane.

Molecular Properties

Compound Name(4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane
PubChem CID143968496
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name(4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane
SMILESCOC.NC1=N[C@@]2(c3cc(-c4cccnn4)ccc3F)COCC[C@H]2CS1
InChIInChI=1S/C17H17FN4OS.C2H6O/c18-14-4-3-11(15-2-1-6-20-22-15)8-13(14)17-10-23-7-5-12(17)9-24-16(19)21-17;1-3-2/h1-4,6,8,12H,5,7,9-10H2,(H2,19,21);1-2H3/t12-,17-;/m0./s1
InChIKeyPZXUFSWODDDZHG-XHXSRVRCSA-N
XLogP2.84
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane?
The IUPAC name of (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane (CID 143968496) is (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane.
What is the SMILES notation for (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane?
The canonical SMILES for (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane is COC.NC1=N[C@@]2(c3cc(-c4cccnn4)ccc3F)COCC[C@H]2CS1.
What is the InChIKey of (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane?
The InChIKey is PZXUFSWODDDZHG-XHXSRVRCSA-N. The full InChI is InChI=1S/C17H17FN4OS.C2H6O/c18-14-4-3-11(15-2-1-6-20-22-15)8-13(14)17-10-23-7-5-12(17)9-24-16(19)21-17;1-3-2/h1-4,6,8,12H,5,7,9-10H2,(H2,19,21);1-2H3/t12-,17-;/m0./s1.
What are the key properties of (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane?
(4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane has a molecular weight of 390.48 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-8a-(2-fluoro-5-pyridazin-3-ylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;methoxymethane is sourced from PubChem (CID 143968496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).