5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol

C15H19FN2O4S — CID 137035080

IUPAC5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
SMILESC/N=C1/NC2C(OC(COCc3ccc(F)cc3)C(O)C2O)S1
InChIInChI=1S/C15H19FN2O4S/c1-17-15-18-11-13(20)12(19)10(22-14(11)23-15)7-21-6-8-2-4-9(16)5-3-8/h2-5,10-14,19-20H,6-7H2,1H3,(H,17,18)
InChIKeyMEOSAVXRUMPVOM-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.48
Rot. Bonds4

About 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol

5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol (PubChem CID 137035080) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
PubChem CID137035080
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
SMILESC/N=C1/NC2C(OC(COCc3ccc(F)cc3)C(O)C2O)S1
InChIInChI=1S/C15H19FN2O4S/c1-17-15-18-11-13(20)12(19)10(22-14(11)23-15)7-21-6-8-2-4-9(16)5-3-8/h2-5,10-14,19-20H,6-7H2,1H3,(H,17,18)
InChIKeyMEOSAVXRUMPVOM-UHFFFAOYSA-N
XLogP0.48
TPSA83.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol 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

2-methylimino-5-[2,2,2-trifluoro-1-[(4-methylphenyl)methoxy]ethyl]-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137169611
[(3aR,5R,6S,7R,7aR)-6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl]methyl-methylcarbamic acid
CID 137123499
(3aR,5R,6R,7S,7aR)-5-ethyl-7-fluoro-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
CID 136607178
2-methylimino-5-[(prop-2-enylamino)methyl]-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137128848
(3aR,5R,6S,7R,7aR)-5-[(4-methoxyphenyl)methoxymethyl]-2-methylimino-3,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-b]pyrrole-6,7-diol
CID 137184308
1-[(6,7-dihydroxy-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-5-yl)methyl]pyrrolidin-2-one
CID 137098143
(3aS,5R,6S,7R,7aS)-2-benzylimino-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137247211
(3aR,5S,6S,7R,7aR)-2-methylimino-5-[(1S)-1-(4-nitrophenoxy)ethyl]-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 136969004
5-(difluoromethyl)-7-fluoro-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
CID 137060650
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(3aR,5S,6S,7R,7aR)-5-[(1S)-1-(2-cyclohexylethoxy)ethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 136969031

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol?
The IUPAC name of 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol (CID 137035080) is 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol?
The canonical SMILES for 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol is C/N=C1/NC2C(OC(COCc3ccc(F)cc3)C(O)C2O)S1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol?
The InChIKey is MEOSAVXRUMPVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-17-15-18-11-13(20)12(19)10(22-14(11)23-15)7-21-6-8-2-4-9(16)5-3-8/h2-5,10-14,19-20H,6-7H2,1H3,(H,17,18).
What are the key properties of 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol?
5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol has a molecular weight of 342.39 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxymethyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol is sourced from PubChem (CID 137035080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).