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-methoxy-3-methylpyrazine-2-carboxamide

C18H22N6O3S2 — CID 118435507

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]-5-methoxy-3-methylpyrazine-2-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]-5-methoxy-3-methylpyrazine-2-carboxamide (PubChem CID 118435507) has the molecular formula C18H22N6O3S2 and a molecular weight of 434.55 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]-5-methoxy-3-methylpyrazine-2-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]-5-methoxy-3-methylpyrazine-2-carboxamide
• PubChem CID: 118435507
• Molecular Formula: C18H22N6O3S2
• Molecular Weight: 434.55 g/mol
• Exact Mass: 434.12
• 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]-5-methoxy-3-methylpyrazine-2-carboxamide
• SMILES: COc1cnc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)c(C)n1
• InChI: InChI=1S/C18H22N6O3S2/c1-9-4-11-6-29-17(19)24-18(11,8-27-9)16-23-12(7-28-16)22-15(25)14-10(2)21-13(26-3)5-20-14/h5,7,9,11H,4,6,8H2,1-3H3,(H2,19,24)(H,22,25)/t9-,11-,18-/m0/s1
• InChIKey: SXWPACCPHBMXRP-DNTLEWNLSA-N
• XLogP: 2.18
• TPSA: 124.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.55
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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]-5-methoxy-3-methylpyrazine-2-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]-5-methoxy-3-methylpyrazine-2-carboxamide (CID 118435507) 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]-5-methoxy-3-methylpyrazine-2-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]-5-methoxy-3-methylpyrazine-2-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]-5-methoxy-3-methylpyrazine-2-carboxamide is COc1cnc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)c(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]-5-methoxy-3-methylpyrazine-2-carboxamide?

The InChIKey is SXWPACCPHBMXRP-DNTLEWNLSA-N. The full InChI is InChI=1S/C18H22N6O3S2/c1-9-4-11-6-29-17(19)24-18(11,8-27-9)16-23-12(7-28-16)22-15(25)14-10(2)21-13(26-3)5-20-14/h5,7,9,11H,4,6,8H2,1-3H3,(H2,19,24)(H,22,25)/t9-,11-,18-/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]-5-methoxy-3-methylpyrazine-2-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]-5-methoxy-3-methylpyrazine-2-carboxamide has a molecular weight of 434.55 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 10 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]-5-methoxy-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 118435507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).