(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C23H24FNO5S — CID 46930428

IUPAC(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H24FNO5S/c1-12-2-3-14(23-22(29)21(28)20(27)17(11-26)30-23)8-15(12)9-19-25-10-18(31-19)13-4-6-16(24)7-5-13/h2-8,10,17,20-23,26-29H,9,11H2,1H3/t17-,20-,21+,22-,23+/m1/s1
InChIKeyJBNBSNDURSYDIY-PHNZBSFLSA-N
MW445.51 g/mol
LogP2.36
Rot. Bonds5

About (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 46930428) has the molecular formula C23H24FNO5S and a molecular weight of 445.51 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID46930428
Molecular FormulaC23H24FNO5S
Molecular Weight445.51 g/mol
Exact Mass445.14
IUPAC Name(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H24FNO5S/c1-12-2-3-14(23-22(29)21(28)20(27)17(11-26)30-23)8-15(12)9-19-25-10-18(31-19)13-4-6-16(24)7-5-13/h2-8,10,17,20-23,26-29H,9,11H2,1H3/t17-,20-,21+,22-,23+/m1/s1
InChIKeyJBNBSNDURSYDIY-PHNZBSFLSA-N
XLogP2.36
TPSA103.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[(5-pyridin-3-ylthiophen-2-yl)methyl]phenyl]oxane-3,4,5-triol
CID 71770704
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-hexylthiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 53317450
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-(4-fluorophenyl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 53318726
(2S,3R,4R,5S,6R)-2-(4-Fluoro-3-((5-(thiazol-3-yl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 53318728
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-cyclohexylthiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 53320039
(2R,3S,4R,5R,6S)-2-(Hydroxymethyl)-6-(4-methyl-3-((5-(thiophen-3-yl)thiazol-2-yl)methyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol
CID 53320044
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-pentylthiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 53321352
2-((5-(Thiophen-3-yl)thiazol-2-yl)methyl)-4-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)benzonitrile
CID 53321356
(2S,3R,4R,5S,6R)-2-(4-chloro-3-((5-ethylthiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 53321459
(2S,3R,4R,5S,6R)-2-(3-((5-Butylthiazol-2-yl)methyl)-4-chlorophenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 53322674
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-cyclopentylthiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 53324010
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-isopropylthiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 53325311

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 46930428) is (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ncc(-c2ccc(F)cc2)s1.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is JBNBSNDURSYDIY-PHNZBSFLSA-N. The full InChI is InChI=1S/C23H24FNO5S/c1-12-2-3-14(23-22(29)21(28)20(27)17(11-26)30-23)8-15(12)9-19-25-10-18(31-19)13-4-6-16(24)7-5-13/h2-8,10,17,20-23,26-29H,9,11H2,1H3/t17-,20-,21+,22-,23+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 445.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 46930428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).