2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide

C24H20F2N4O4S — CID 123872687

IUPAC2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(C2CC3CSC(NC(=O)c4ccccc4)=NC3(c3ccc(F)cc3F)CO2)n1
InChIInChI=1S/C24H20F2N4O4S/c25-15-6-7-16(17(26)9-15)24-12-34-19(22-28-18(10-33-22)20(27)31)8-14(24)11-35-23(30-24)29-21(32)13-4-2-1-3-5-13/h1-7,9-10,14,19H,8,11-12H2,(H2,27,31)(H,29,30,32)
InChIKeyAPMHNRYONWCFNR-UHFFFAOYSA-N
MW498.51 g/mol
LogP3.56
Rot. Bonds4

About 2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide

2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide (PubChem CID 123872687) has the molecular formula C24H20F2N4O4S and a molecular weight of 498.51 g/mol. Its IUPAC name is 2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide
PubChem CID123872687
Molecular FormulaC24H20F2N4O4S
Molecular Weight498.51 g/mol
Exact Mass498.12
IUPAC Name2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(C2CC3CSC(NC(=O)c4ccccc4)=NC3(c3ccc(F)cc3F)CO2)n1
InChIInChI=1S/C24H20F2N4O4S/c25-15-6-7-16(17(26)9-15)24-12-34-19(22-28-18(10-33-22)20(27)31)8-14(24)11-35-23(30-24)29-21(32)13-4-2-1-3-5-13/h1-7,9-10,14,19H,8,11-12H2,(H2,27,31)(H,29,30,32)
InChIKeyAPMHNRYONWCFNR-UHFFFAOYSA-N
XLogP3.56
TPSA119.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide
CID 90331296
N-[(4aR,6R,8aS)-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-yl]benzamide
CID 90331498
N-[(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-[(1R,2R)-2-methylcyclopropyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 90253535
N-[(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methylcyclopropyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 90253573
N-[8a-(2,4-difluorophenyl)-6-prop-2-ynoyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 123172900
N-[(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-hydroxyprop-2-ynyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 90064325
ethyl 3-[(4aR,6R,8aS)-2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-3-oxopropanoate
CID 90331856
(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
tert-butyl N-[[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazine-6-carbonyl]amino]carbamate
CID 123463338
N-[(4aR,6R,8aS)-8a-(5-bromo-2,4-difluorophenyl)-6-(fluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 86762640
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
N-[8a-(2,4-difluorophenyl)-4-methyl-6-phenyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide
CID 123560663

Frequently Asked Questions

What is the IUPAC name of 2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide (CID 123872687) is 2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide is NC(=O)c1coc(C2CC3CSC(NC(=O)c4ccccc4)=NC3(c3ccc(F)cc3F)CO2)n1.
What is the InChIKey of 2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is APMHNRYONWCFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O4S/c25-15-6-7-16(17(26)9-15)24-12-34-19(22-28-18(10-33-22)20(27)31)8-14(24)11-35-23(30-24)29-21(32)13-4-2-1-3-5-13/h1-7,9-10,14,19H,8,11-12H2,(H2,27,31)(H,29,30,32).
What are the key properties of 2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide?
2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-benzamido-8a-(2,4-difluorophenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-6-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123872687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).