N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide

C17H15ClF3N5O3S — CID 126715558

IUPACN-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide
SMILESNC1=N[C@]2(c3nc(NC(=O)c4ccc(Cl)cn4)cs3)CO[C@H](C(F)(F)F)C[C@@H]2CO1
InChIInChI=1S/C17H15ClF3N5O3S/c18-9-1-2-10(23-4-9)13(27)24-12-6-30-14(25-12)16-7-29-11(17(19,20)21)3-8(16)5-28-15(22)26-16/h1-2,4,6,8,11H,3,5,7H2,(H2,22,26)(H,24,27)/t8-,11+,16-/m1/s1
InChIKeyOQSIGQLVIQVSPX-OEODGHQXSA-N
MW461.85 g/mol
LogP2.95
Rot. Bonds3

About N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide

N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide (PubChem CID 126715558) has the molecular formula C17H15ClF3N5O3S and a molecular weight of 461.85 g/mol. Its IUPAC name is N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide
PubChem CID126715558
Molecular FormulaC17H15ClF3N5O3S
Molecular Weight461.85 g/mol
Exact Mass461.05
IUPAC NameN-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide
SMILESNC1=N[C@]2(c3nc(NC(=O)c4ccc(Cl)cn4)cs3)CO[C@H](C(F)(F)F)C[C@@H]2CO1
InChIInChI=1S/C17H15ClF3N5O3S/c18-9-1-2-10(23-4-9)13(27)24-12-6-30-14(25-12)16-7-29-11(17(19,20)21)3-8(16)5-28-15(22)26-16/h1-2,4,6,8,11H,3,5,7H2,(H2,22,26)(H,24,27)/t8-,11+,16-/m1/s1
InChIKeyOQSIGQLVIQVSPX-OEODGHQXSA-N
XLogP2.95
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.85
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide
CID 126715640
N-[2-[(4aR,6R,8aR)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-isocyano-3-methylpyridine-2-carboxamide
CID 140779943
N-[2-[(4aR,6R,8aR)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 126715588
N-[2-[(4aS,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 126735384
N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 126720450
N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 145279845
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,8aR)-2-aminospiro[4,4a,5,8-tetrahydropyrano[3,4-d][1,3]oxazine-6,1'-cyclobutane]-8a-yl]-1,3-thiazol-4-yl]-3-chloro-5-(difluoromethoxy)pyridine-2-carboxamide
CID 126715613
N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane
CID 144942364
N-[3-[(8aS)-2-amino-4,4a,5,6,7,8-hexahydro-3,1-benzoxazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 53251519
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-(cyanomethoxy)pyridine-2-carboxamide
CID 118435472
N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl)-1,3-thiazol-4-yl]-5-methoxy-3-methylpyrazine-2-carboxamide;trifluoroborane
CID 145279867

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide (CID 126715558) is N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide is NC1=N[C@]2(c3nc(NC(=O)c4ccc(Cl)cn4)cs3)CO[C@H](C(F)(F)F)C[C@@H]2CO1.
What is the InChIKey of N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide?
The InChIKey is OQSIGQLVIQVSPX-OEODGHQXSA-N. The full InChI is InChI=1S/C17H15ClF3N5O3S/c18-9-1-2-10(23-4-9)13(27)24-12-6-30-14(25-12)16-7-29-11(17(19,20)21)3-8(16)5-28-15(22)26-16/h1-2,4,6,8,11H,3,5,7H2,(H2,22,26)(H,24,27)/t8-,11+,16-/m1/s1.
What are the key properties of N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide?
N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide has a molecular weight of 461.85 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 126715558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).