N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C16H16F3N5O3S2 — CID 118435594

IUPACN-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESC[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3coc(C(F)(F)F)n3)cs2)CO1
InChIInChI=1S/C16H16F3N5O3S2/c1-7-2-8-4-29-14(20)24-15(8,6-27-7)13-23-10(5-28-13)22-11(25)9-3-26-12(21-9)16(17,18)19/h3,5,7-8H,2,4,6H2,1H3,(H2,20,24)(H,22,25)/t7-,8-,15-/m0/s1
InChIKeyOFGNUYLKKKCTPY-VQLIFVOLSA-N
MW447.46 g/mol
LogP3.08
Rot. Bonds3

About N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 118435594) has the molecular formula C16H16F3N5O3S2 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID118435594
Molecular FormulaC16H16F3N5O3S2
Molecular Weight447.46 g/mol
Exact Mass447.06
IUPAC NameN-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESC[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3coc(C(F)(F)F)n3)cs2)CO1
InChIInChI=1S/C16H16F3N5O3S2/c1-7-2-8-4-29-14(20)24-15(8,6-27-7)13-23-10(5-28-13)22-11(25)9-3-26-12(21-9)16(17,18)19/h3,5,7-8H,2,4,6H2,1H3,(H2,20,24)(H,22,25)/t7-,8-,15-/m0/s1
InChIKeyOFGNUYLKKKCTPY-VQLIFVOLSA-N
XLogP3.08
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 118435456
N-[2-[(4aR,6S)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 118435366
N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-1-methylimidazole-4-carboxamide
CID 123946136
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]pyridazine-3-carboxamide
CID 118435620
N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-chloro-1-methylpyrazole-3-carboxamide
CID 123196673
N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-1-propan-2-ylimidazole-4-carboxamide
CID 123493464
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 118435360
N-[2-[(4aR,6S)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 118435579
N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 123995403
N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide
CID 123916988
N-[2-[(4aR,6S)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyrimidine-2-carboxamide
CID 118435630
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 172867591

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 118435594) is N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide is C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3coc(C(F)(F)F)n3)cs2)CO1.
What is the InChIKey of N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OFGNUYLKKKCTPY-VQLIFVOLSA-N. The full InChI is InChI=1S/C16H16F3N5O3S2/c1-7-2-8-4-29-14(20)24-15(8,6-27-7)13-23-10(5-28-13)22-11(25)9-3-26-12(21-9)16(17,18)19/h3,5,7-8H,2,4,6H2,1H3,(H2,20,24)(H,22,25)/t7-,8-,15-/m0/s1.
What are the key properties of N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-2-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118435594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).