8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine

C17H17F2N3O2S — CID 118062960

IUPAC8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
SMILESCC1SC(N)=NC2(c3ccc(F)cc3F)COC(c3ncco3)CC12
InChIInChI=1S/C17H17F2N3O2S/c1-9-12-7-14(15-21-4-5-23-15)24-8-17(12,22-16(20)25-9)11-3-2-10(18)6-13(11)19/h2-6,9,12,14H,7-8H2,1H3,(H2,20,22)
InChIKeyUVLZAXVMVHTAGW-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.38
Rot. Bonds2

About 8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine

8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine (PubChem CID 118062960) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is 8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
PubChem CID118062960
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
SMILESCC1SC(N)=NC2(c3ccc(F)cc3F)COC(c3ncco3)CC12
InChIInChI=1S/C17H17F2N3O2S/c1-9-12-7-14(15-21-4-5-23-15)24-8-17(12,22-16(20)25-9)11-3-2-10(18)6-13(11)19/h2-6,9,12,14H,7-8H2,1H3,(H2,20,22)
InChIKeyUVLZAXVMVHTAGW-UHFFFAOYSA-N
XLogP3.38
TPSA73.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of 8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine (CID 118062960) is 8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for 8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for 8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine is CC1SC(N)=NC2(c3ccc(F)cc3F)COC(c3ncco3)CC12.
What is the InChIKey of 8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
The InChIKey is UVLZAXVMVHTAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c1-9-12-7-14(15-21-4-5-23-15)24-8-17(12,22-16(20)25-9)11-3-2-10(18)6-13(11)19/h2-6,9,12,14H,7-8H2,1H3,(H2,20,22).
What are the key properties of 8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine?
8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine has a molecular weight of 365.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(2,4-difluorophenyl)-4-methyl-6-(1,3-oxazol-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 118062960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).