(4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine

C14H17FN2OS — CID 143968493

IUPAC(4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
SMILESC[C@H]1SC(N)=N[C@@]2(c3ccccc3F)COCCC12
InChIInChI=1S/C14H17FN2OS/c1-9-10-6-7-18-8-14(10,17-13(16)19-9)11-4-2-3-5-12(11)15/h2-5,9-10H,6-8H2,1H3,(H2,16,17)/t9-,10?,14+/m1/s1
InChIKeyWMWGKSSCFRXZOM-YMNNPKDXSA-N
MW280.37 g/mol
LogP2.51
Rot. Bonds1

About (4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine

(4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine (PubChem CID 143968493) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is (4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name(4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
PubChem CID143968493
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name(4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
SMILESC[C@H]1SC(N)=N[C@@]2(c3ccccc3F)COCCC12
InChIInChI=1S/C14H17FN2OS/c1-9-10-6-7-18-8-14(10,17-13(16)19-9)11-4-2-3-5-12(11)15/h2-5,9-10H,6-8H2,1H3,(H2,16,17)/t9-,10?,14+/m1/s1
InChIKeyWMWGKSSCFRXZOM-YMNNPKDXSA-N
XLogP2.51
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 68586906
(5S)-5-fluoro-8a-(2-fluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 70229637
(1S,7S)-1-(2-fluorophenyl)-4-thia-2-azabicyclo[5.1.0]oct-2-en-3-amine
CID 71202291
(4aS,8aR)-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71277796
(5R,9R)-9-ethynyl-2,2-difluoro-9-(2-fluorophenyl)-5-methyl-6-thia-8-azaspiro[3.5]non-7-en-7-amine
CID 144942818
3-[(4R,4aR,6R,8aS)-2-amino-8a-(2,4-difluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]benzonitrile
CID 118599392
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
8a-(2-fluorophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine
CID 67478082
(9aS)-9a-(2-fluorophenyl)-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[d][1,3]thiazin-2-amine
CID 70259386
(3aR,7aR)-3a-(2-fluorophenyl)-7-methyl-1,3,4,6,7,7a-hexahydrofuro[3,4-c]pyran
CID 58406095
(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
(4R,4aR,6R,9aS)-9a-(2-fluoro-4-iodophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[d][1,3]thiazin-2-amine
CID 121381857

Frequently Asked Questions

What is the IUPAC name of (4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of (4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine (CID 143968493) is (4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for (4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for (4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine is C[C@H]1SC(N)=N[C@@]2(c3ccccc3F)COCCC12.
What is the InChIKey of (4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
The InChIKey is WMWGKSSCFRXZOM-YMNNPKDXSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-9-10-6-7-18-8-14(10,17-13(16)19-9)11-4-2-3-5-12(11)15/h2-5,9-10H,6-8H2,1H3,(H2,16,17)/t9-,10?,14+/m1/s1.
What are the key properties of (4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
(4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine has a molecular weight of 280.37 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8aS)-8a-(2-fluorophenyl)-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 143968493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).