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

C17H22N6O2S2 — CID 123995403

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]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1csc(C23COC(C)CC2CSC(N)=N3)n1
InChIInChI=1S/C17H22N6O2S2/c1-9-4-11-6-27-16(18)21-17(11,8-25-9)15-20-13(7-26-15)19-14(24)12-5-23(3)22-10(12)2/h5,7,9,11H,4,6,8H2,1-3H3,(H2,18,21)(H,19,24)
InChIKeyAMFCYNCVUSEZKE-UHFFFAOYSA-N
MW406.54 g/mol
LogP2.12
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]-1,3-dimethylpyrazole-4-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]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 123995403) has the molecular formula C17H22N6O2S2 and a molecular weight of 406.54 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]-1,3-dimethylpyrazole-4-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]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID123995403
Molecular FormulaC17H22N6O2S2
Molecular Weight406.54 g/mol
Exact Mass406.12
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]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1csc(C23COC(C)CC2CSC(N)=N3)n1
InChIInChI=1S/C17H22N6O2S2/c1-9-4-11-6-27-16(18)21-17(11,8-25-9)15-20-13(7-26-15)19-14(24)12-5-23(3)22-10(12)2/h5,7,9,11H,4,6,8H2,1-3H3,(H2,18,21)(H,19,24)
InChIKeyAMFCYNCVUSEZKE-UHFFFAOYSA-N
XLogP2.12
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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]-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)-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]-2-methyl-1,3-oxazole-4-carboxamide
CID 118435456
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)-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)-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]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]-5-(cyanomethoxy)pyridine-2-carboxamide
CID 118435472
N-[2-[(4aR,8aR)-2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 144942335

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]-1,3-dimethylpyrazole-4-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]-1,3-dimethylpyrazole-4-carboxamide (CID 123995403) 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]-1,3-dimethylpyrazole-4-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]-1,3-dimethylpyrazole-4-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]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1csc(C23COC(C)CC2CSC(N)=N3)n1.
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]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is AMFCYNCVUSEZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S2/c1-9-4-11-6-27-16(18)21-17(11,8-25-9)15-20-13(7-26-15)19-14(24)12-5-23(3)22-10(12)2/h5,7,9,11H,4,6,8H2,1-3H3,(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]-1,3-dimethylpyrazole-4-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]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 406.54 g/mol, XLogP of 2.12, 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]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 123995403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).