5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol

C10H18N2O2S — CID 137151037

IUPAC5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
SMILESCC/N=C1/NC2CC(O)C(CC)OC2S1
InChIInChI=1S/C10H18N2O2S/c1-3-8-7(13)5-6-9(14-8)15-10(12-6)11-4-2/h6-9,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyBQKUKZVBLDEKDR-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.95
Rot. Bonds2

About 5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol

5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol (PubChem CID 137151037) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol.

Molecular Properties

Compound Name5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
PubChem CID137151037
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
SMILESCC/N=C1/NC2CC(O)C(CC)OC2S1
InChIInChI=1S/C10H18N2O2S/c1-3-8-7(13)5-6-9(14-8)15-10(12-6)11-4-2/h6-9,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyBQKUKZVBLDEKDR-UHFFFAOYSA-N
XLogP0.95
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
The IUPAC name of 5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol (CID 137151037) is 5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol.
What is the SMILES notation for 5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
The canonical SMILES for 5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol is CC/N=C1/NC2CC(O)C(CC)OC2S1.
What is the InChIKey of 5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
The InChIKey is BQKUKZVBLDEKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-8-7(13)5-6-9(14-8)15-10(12-6)11-4-2/h6-9,13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol has a molecular weight of 230.33 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol is sourced from PubChem (CID 137151037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).