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]-3-ethyl-1-methylpyrazole-5-carboxamide

C18H24N6O2S2 — CID 118435438

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]-3-ethyl-1-methylpyrazole-5-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]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 118435438) has the molecular formula C18H24N6O2S2 and a molecular weight of 420.56 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]-3-ethyl-1-methylpyrazole-5-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]-3-ethyl-1-methylpyrazole-5-carboxamide
• PubChem CID: 118435438
• Molecular Formula: C18H24N6O2S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.14
• 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]-3-ethyl-1-methylpyrazole-5-carboxamide
• SMILES: CCc1cc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(N)=N4)n2)n(C)n1
• InChI: InChI=1S/C18H24N6O2S2/c1-4-12-6-13(24(3)23-12)15(25)20-14-8-27-16(21-14)18-9-26-10(2)5-11(18)7-28-17(19)22-18/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,19,22)(H,20,25)/t10-,11-,18-/m0/s1
• InChIKey: CGRINOQDQPTZNQ-FHGNATFXSA-N
• XLogP: 2.37
• TPSA: 107.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	2.37
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]-3-ethyl-1-methylpyrazole-5-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]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 118435438) 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]-3-ethyl-1-methylpyrazole-5-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]-3-ethyl-1-methylpyrazole-5-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]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(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]-3-ethyl-1-methylpyrazole-5-carboxamide?

The InChIKey is CGRINOQDQPTZNQ-FHGNATFXSA-N. The full InChI is InChI=1S/C18H24N6O2S2/c1-4-12-6-13(24(3)23-12)15(25)20-14-8-27-16(21-14)18-9-26-10(2)5-11(18)7-28-17(19)22-18/h6,8,10-11H,4-5,7,9H2,1-3H3,(H2,19,22)(H,20,25)/t10-,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]-3-ethyl-1-methylpyrazole-5-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]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.37, 4 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]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 118435438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).