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]-2,5-dimethylpyrazole-3-carboxamide

C17H22N6O2S2 — CID 118435589

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]-2,5-dimethylpyrazole-3-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]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 118435589) has the molecular formula C17H22N6O2S2 and a molecular weight of 406.54 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]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 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]-2,5-dimethylpyrazole-3-carboxamide
• PubChem CID: 118435589
• Molecular Formula: C17H22N6O2S2
• Molecular Weight: 406.54 g/mol
• Exact Mass: 406.12
• IUPAC Name: 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]-2,5-dimethylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)n(C)n1
• InChI: InChI=1S/C17H22N6O2S2/c1-9-4-12(23(3)22-9)14(24)19-13-7-26-15(20-13)17-8-25-10(2)5-11(17)6-27-16(18)21-17/h4,7,10-11H,5-6,8H2,1-3H3,(H2,18,21)(H,19,24)/t10-,11-,17-/m0/s1
• InChIKey: BFNZIGAGWOZILF-DINDLPBHSA-N
• XLogP: 2.12
• TPSA: 107.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.54
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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]-2,5-dimethylpyrazole-3-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]-2,5-dimethylpyrazole-3-carboxamide (CID 118435589) 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]-2,5-dimethylpyrazole-3-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]-2,5-dimethylpyrazole-3-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]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)n(C)n1.

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]-2,5-dimethylpyrazole-3-carboxamide?

The InChIKey is BFNZIGAGWOZILF-DINDLPBHSA-N. The full InChI is InChI=1S/C17H22N6O2S2/c1-9-4-12(23(3)22-9)14(24)19-13-7-26-15(20-13)17-8-25-10(2)5-11(17)6-27-16(18)21-17/h4,7,10-11H,5-6,8H2,1-3H3,(H2,18,21)(H,19,24)/t10-,11-,17-/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]-2,5-dimethylpyrazole-3-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]-2,5-dimethylpyrazole-3-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-[(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]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 118435589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).