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

C16H19ClN6O2S2 — CID 123196673

IUPACN-[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
SMILESCC1CC2CSC(N)=NC2(c2nc(NC(=O)c3cc(Cl)n(C)n3)cs2)CO1
InChIInChI=1S/C16H19ClN6O2S2/c1-8-3-9-5-27-15(18)21-16(9,7-25-8)14-20-12(6-26-14)19-13(24)10-4-11(17)23(2)22-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,18,21)(H,19,24)
InChIKeyDKLUJYYJLVYPHL-UHFFFAOYSA-N
MW426.96 g/mol
LogP2.46
Rot. Bonds3

About 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

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 (PubChem CID 123196673) has the molecular formula C16H19ClN6O2S2 and a molecular weight of 426.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID123196673
Molecular FormulaC16H19ClN6O2S2
Molecular Weight426.96 g/mol
Exact Mass426.07
IUPAC NameN-[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
SMILESCC1CC2CSC(N)=NC2(c2nc(NC(=O)c3cc(Cl)n(C)n3)cs2)CO1
InChIInChI=1S/C16H19ClN6O2S2/c1-8-3-9-5-27-15(18)21-16(9,7-25-8)14-20-12(6-26-14)19-13(24)10-4-11(17)23(2)22-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,18,21)(H,19,24)
InChIKeyDKLUJYYJLVYPHL-UHFFFAOYSA-N
XLogP2.46
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.96
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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-(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-(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]-3-cyclobutyl-1-methylpyrazole-5-carboxamide
CID 123455847
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-[(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]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 172867591
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-[(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
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)-4-methylpyrazole-3-carboxamide
CID 118435551
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC2CSC(N)=NC2(c2nc(NC(=O)c3cc(Cl)n(C)n3)cs2)CO1.
What is the InChIKey of 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?
The InChIKey is DKLUJYYJLVYPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O2S2/c1-8-3-9-5-27-15(18)21-16(9,7-25-8)14-20-12(6-26-14)19-13(24)10-4-11(17)23(2)22-10/h4,6,8-9H,3,5,7H2,1-2H3,(H2,18,21)(H,19,24).
What are the key properties of 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?
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 has a molecular weight of 426.96 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123196673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).