(3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine

C38H54N4O6S2 — CID 160785386

About (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine

(3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine (PubChem CID 160785386) has the molecular formula C38H54N4O6S2 and a molecular weight of 727.01 g/mol. Its IUPAC name is (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine.

Molecular Properties

• Compound Name: (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine
• PubChem CID: 160785386
• Molecular Formula: C38H54N4O6S2
• Molecular Weight: 727.01 g/mol
• Exact Mass: 726.35
• IUPAC Name: (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine
• SMILES: C=C[C@H]1O[C@@H]2SC(N(C)C)=N[C@@H]2[C@@H](OCc2ccc(OC)cc2)[C@@H]1C.CC[C@H]1O[C@@H]2SC(N(C)C)=N[C@@H]2[C@@H](OCc2ccc(OC)cc2)[C@@H]1C
• InChI: InChI=1S/C19H28N2O3S.C19H26N2O3S/c2*1-6-15-12(2)17(16-18(24-15)25-19(20-16)21(3)4)23-11-13-7-9-14(22-5)10-8-13/h7-10,12,15-18H,6,11H2,1-5H3;6-10,12,15-18H,1,11H2,2-5H3/t2*12-,15-,16-,17+,18-/m11/s1
• InChIKey: SBDDCWDIGHGKSH-SGLGEYFESA-N
• XLogP: 6.54
• TPSA: 86.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	727.01
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine?

The IUPAC name of (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine (CID 160785386) is (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine.

What is the SMILES notation for (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine?

The canonical SMILES for (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine is C=C[C@H]1O[C@@H]2SC(N(C)C)=N[C@@H]2[C@@H](OCc2ccc(OC)cc2)[C@@H]1C.CC[C@H]1O[C@@H]2SC(N(C)C)=N[C@@H]2[C@@H](OCc2ccc(OC)cc2)[C@@H]1C.

What is the InChIKey of (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine?

The InChIKey is SBDDCWDIGHGKSH-SGLGEYFESA-N. The full InChI is InChI=1S/C19H28N2O3S.C19H26N2O3S/c2*1-6-15-12(2)17(16-18(24-15)25-19(20-16)21(3)4)23-11-13-7-9-14(22-5)10-8-13/h7-10,12,15-18H,6,11H2,1-5H3;6-10,12,15-18H,1,11H2,2-5H3/t2*12-,15-,16-,17+,18-/m11/s1.

What are the key properties of (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine?

(3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine has a molecular weight of 727.01 g/mol, XLogP of 6.54, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,5R,6R,7S,7aR)-5-ethenyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine;(3aR,5R,6R,7S,7aR)-5-ethyl-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine is sourced from PubChem (CID 160785386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).