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

C14H15F2NOS — CID 144649600

IUPAC8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine
SMILESCC1=NC2(c3ccc(F)cc3F)COCCC2CS1
InChIInChI=1S/C14H15F2NOS/c1-9-17-14(8-18-5-4-10(14)7-19-9)12-3-2-11(15)6-13(12)16/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyVHJPUIOURNJJDR-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.36
Rot. Bonds1

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

8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine (PubChem CID 144649600) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine.

Molecular Properties

Compound Name8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine
PubChem CID144649600
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine
SMILESCC1=NC2(c3ccc(F)cc3F)COCCC2CS1
InChIInChI=1S/C14H15F2NOS/c1-9-17-14(8-18-5-4-10(14)7-19-9)12-3-2-11(15)6-13(12)16/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyVHJPUIOURNJJDR-UHFFFAOYSA-N
XLogP3.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,8aR)-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71277796
8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine;methane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene
CID 144649599
(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
(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
(4aR,7aR)-7a-(5-bromo-2-fluorophenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine;(4aS,7aS)-7a-(5-bromo-2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazine
CID 160576461
(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
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
(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
(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
(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
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

Frequently Asked Questions

What is the IUPAC name of 8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine?
The IUPAC name of 8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine (CID 144649600) is 8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine.
What is the SMILES notation for 8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine?
The canonical SMILES for 8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine is CC1=NC2(c3ccc(F)cc3F)COCCC2CS1.
What is the InChIKey of 8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine?
The InChIKey is VHJPUIOURNJJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-9-17-14(8-18-5-4-10(14)7-19-9)12-3-2-11(15)6-13(12)16/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine?
8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine has a molecular weight of 283.34 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(2,4-difluorophenyl)-2-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine is sourced from PubChem (CID 144649600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).