5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one

C19H19F2N3O2S — CID 123147849

IUPAC5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one
SMILESCn1cc(C2CC3CSC(N)=NC3(c3ccc(F)cc3F)CO2)ccc1=O
InChIInChI=1S/C19H19F2N3O2S/c1-24-8-11(2-5-17(24)25)16-6-12-9-27-18(22)23-19(12,10-26-16)14-4-3-13(20)7-15(14)21/h2-5,7-8,12,16H,6,9-10H2,1H3,(H2,22,23)
InChIKeyBLDFPKAMXFBXMA-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.70
Rot. Bonds2

About 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one

5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one (PubChem CID 123147849) has the molecular formula C19H19F2N3O2S and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one
PubChem CID123147849
Molecular FormulaC19H19F2N3O2S
Molecular Weight391.44 g/mol
Exact Mass391.12
IUPAC Name5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one
SMILESCn1cc(C2CC3CSC(N)=NC3(c3ccc(F)cc3F)CO2)ccc1=O
InChIInChI=1S/C19H19F2N3O2S/c1-24-8-11(2-5-17(24)25)16-6-12-9-27-18(22)23-19(12,10-26-16)14-4-3-13(20)7-15(14)21/h2-5,7-8,12,16H,6,9-10H2,1H3,(H2,22,23)
InChIKeyBLDFPKAMXFBXMA-UHFFFAOYSA-N
XLogP2.70
TPSA69.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one with MolForge

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Related Compounds

(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(3-fluoro-5-methylphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 78321049
8a-(2,4-difluorophenyl)-6-(5-fluoro-1-methylpyrazol-3-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 90332363
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 91757962
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(5-fluoropyrimidin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 72543979
(6R,8aS)-8a-(2,4-difluorophenyl)-6-(4,5-dimethyl-1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 91819735
(6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methylcyclopropyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 144649597
(4aR,6R,8aS)-6-cyclopropyl-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 75593344
6-cyclopropyl-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 123956051
8a-(2,4-difluorophenyl)-6-[4-(trifluoromethyl)-1,3-oxazol-2-yl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 123284599
8a-(2,4-difluorophenyl)-6-([1,3]oxazolo[4,5-c]pyridin-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 90332253
(4aS,8aR)-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71277796
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(6-methyl-3-pyridinyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine;N-[(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(6-methyl-3-pyridinyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;hexapentaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54-heptacosayne;hydrochloride
CID 158333457

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one (CID 123147849) is 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one is Cn1cc(C2CC3CSC(N)=NC3(c3ccc(F)cc3F)CO2)ccc1=O.
What is the InChIKey of 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one?
The InChIKey is BLDFPKAMXFBXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2S/c1-24-8-11(2-5-17(24)25)16-6-12-9-27-18(22)23-19(12,10-26-16)14-4-3-13(20)7-15(14)21/h2-5,7-8,12,16H,6,9-10H2,1H3,(H2,22,23).
What are the key properties of 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one?
5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one has a molecular weight of 391.44 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 123147849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).