N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide

C18H21N5O3S2 — CID 126732560

IUPACN-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide
SMILESCC1(C)C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(O)cn3)cs2)CO1
InChIInChI=1S/C18H21N5O3S2/c1-17(2)5-10-7-28-16(19)23-18(10,9-26-17)15-22-13(8-27-15)21-14(25)12-4-3-11(24)6-20-12/h3-4,6,8,10,24H,5,7,9H2,1-2H3,(H2,19,23)(H,21,25)/t10-,18-/m0/s1
InChIKeyLDOMHGCQSUSLPP-YPMLDQLKSA-N
MW419.53 g/mol
LogP2.57
Rot. Bonds3

About N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide

N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide (PubChem CID 126732560) has the molecular formula C18H21N5O3S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide
PubChem CID126732560
Molecular FormulaC18H21N5O3S2
Molecular Weight419.53 g/mol
Exact Mass419.11
IUPAC NameN-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide
SMILESCC1(C)C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(O)cn3)cs2)CO1
InChIInChI=1S/C18H21N5O3S2/c1-17(2)5-10-7-28-16(19)23-18(10,9-26-17)15-22-13(8-27-15)21-14(25)12-4-3-11(24)6-20-12/h3-4,6,8,10,24H,5,7,9H2,1-2H3,(H2,19,23)(H,21,25)/t10-,18-/m0/s1
InChIKeyLDOMHGCQSUSLPP-YPMLDQLKSA-N
XLogP2.57
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-[(6S,8aR)-2-amino-6-(fluoromethyl)-6-methyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 145279796
N-[2-[(8aS)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 126731741
N-[2-[(8aS)-2-aminospiro[4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazine-6,1'-cyclobutane]-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 126732092
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-(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-[2-[(4aS)-2-benzamido-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-but-2-ynoxypyridine-2-carboxamide
CID 126715675
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-[(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-but-2-ynoxypyridine-2-carboxamide
CID 118435625
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-(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-[(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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide (CID 126732560) is N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide is CC1(C)C[C@H]2CSC(N)=N[C@@]2(c2nc(NC(=O)c3ccc(O)cn3)cs2)CO1.
What is the InChIKey of N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide?
The InChIKey is LDOMHGCQSUSLPP-YPMLDQLKSA-N. The full InChI is InChI=1S/C18H21N5O3S2/c1-17(2)5-10-7-28-16(19)23-18(10,9-26-17)15-22-13(8-27-15)21-14(25)12-4-3-11(24)6-20-12/h3-4,6,8,10,24H,5,7,9H2,1-2H3,(H2,19,23)(H,21,25)/t10-,18-/m0/s1.
What are the key properties of N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide?
N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aR,8aR)-2-amino-6,6-dimethyl-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 126732560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).