2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol

C10H18N2O4S — CID 137157047

IUPAC2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
SMILESCC/N=C1/NC2C(OC(CO)C(O)C2OC)S1
InChIInChI=1S/C10H18N2O4S/c1-3-11-10-12-6-8(15-2)7(14)5(4-13)16-9(6)17-10/h5-9,13-14H,3-4H2,1-2H3,(H,11,12)
InChIKeyJRZSXVZVOPYSIU-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.84
Rot. Bonds3

About 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol

2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol (PubChem CID 137157047) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol.

Molecular Properties

Compound Name2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
PubChem CID137157047
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
SMILESCC/N=C1/NC2C(OC(CO)C(O)C2OC)S1
InChIInChI=1S/C10H18N2O4S/c1-3-11-10-12-6-8(15-2)7(14)5(4-13)16-9(6)17-10/h5-9,13-14H,3-4H2,1-2H3,(H,11,12)
InChIKeyJRZSXVZVOPYSIU-UHFFFAOYSA-N
XLogP-0.84
TPSA83.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,5R,6S,7R,7aS)-2-ethylimino-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137247207
(3aR,5R,6R,7R,7aS)-2-ethylimino-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137083587
(3aR,5R,6R,7S,7aS)-2-ethylimino-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137030248
(3aS,5R,6S,7R,7aS)-5-(hydroxymethyl)-2-propylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137247208
(3aR,5R,6R,7aR)-2-ethylimino-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
CID 137252683
(3aR,5R,6S,7R,7aR)-5-(ethylaminomethyl)-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol;hydrochloride
CID 136626119
(3aR,5R,6R,7S,7aR)-5-(hydroxymethyl)-2-prop-2-ynylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 136607172
[(5R,6S,7R)-6,7-diacetyloxy-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl acetate
CID 135907982
5-(difluoromethyl)-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137082789
(3aR,6S,7R,7aR)-5-(hydroxymethyl)-2-(3,3,3-trifluoropropylimino)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137141113
5-ethyl-2-ethylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
CID 137151037
[(3aR,5R,6R,7S,7aR)-2-(2-cyclopropylethylimino)-5-ethyl-6-methyl-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-7-yl] acetate;(3aR,5R,6S,7R,7aR)-2-(2-cyclopropylethylimino)-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol;methane;methanol
CID 161045394

Frequently Asked Questions

What is the IUPAC name of 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
The IUPAC name of 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol (CID 137157047) is 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol.
What is the SMILES notation for 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
The canonical SMILES for 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol is CC/N=C1/NC2C(OC(CO)C(O)C2OC)S1.
What is the InChIKey of 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
The InChIKey is JRZSXVZVOPYSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-3-11-10-12-6-8(15-2)7(14)5(4-13)16-9(6)17-10/h5-9,13-14H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol has a molecular weight of 262.33 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylimino-5-(hydroxymethyl)-7-methoxy-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol is sourced from PubChem (CID 137157047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).