3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone

C12H16N2O3S — CID 127600781

IUPAC3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCSC3COCCC32)no1
InChIInChI=1S/C12H16N2O3S/c1-8-6-9(13-17-8)12(15)14-3-5-18-11-7-16-4-2-10(11)14/h6,10-11H,2-5,7H2,1H3
InChIKeyFINIIOOKCYAJSR-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.33
Rot. Bonds1

About 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone

3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 127600781) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID127600781
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCSC3COCCC32)no1
InChIInChI=1S/C12H16N2O3S/c1-8-6-9(13-17-8)12(15)14-3-5-18-11-7-16-4-2-10(11)14/h6,10-11H,2-5,7H2,1H3
InChIKeyFINIIOOKCYAJSR-UHFFFAOYSA-N
XLogP1.33
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone 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

3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 71915260
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-chlorothiophen-2-yl)methanone
CID 75429662
[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 97078399
[(3aS,6aS)-1-methyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 125210118
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129447811
[(4aR,8aR)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 125140782
[(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97458871
(5-methyl-1,2-oxazol-3-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330764
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 102560081
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 68602820
(5-methyl-1,2-oxazol-3-yl)-[(1R,5S)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 133126114
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599

Frequently Asked Questions

What is the IUPAC name of 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone (CID 127600781) is 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCSC3COCCC32)no1.
What is the InChIKey of 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is FINIIOOKCYAJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-6-9(13-17-8)12(15)14-3-5-18-11-7-16-4-2-10(11)14/h6,10-11H,2-5,7H2,1H3.
What are the key properties of 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone?
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 268.34 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 127600781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).