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

C20H21NO6S — CID 53322676

IUPAC(2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2cccc(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H21NO6S/c22-10-14-17(23)18(24)19(25)20(27-14)12-4-1-3-11(7-12)8-16-21-9-15(28-16)13-5-2-6-26-13/h1-7,9,14,17-20,22-25H,8,10H2/t14-,17-,18+,19-,20+/m1/s1
InChIKeyVAZLGXBKVYVPOA-QSWMPLQWSA-N
MW403.46 g/mol
LogP1.51
Rot. Bonds5

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

(2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53322676) has the molecular formula C20H21NO6S and a molecular weight of 403.46 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53322676
Molecular FormulaC20H21NO6S
Molecular Weight403.46 g/mol
Exact Mass403.11
IUPAC Name(2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2cccc(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H21NO6S/c22-10-14-17(23)18(24)19(25)20(27-14)12-4-1-3-11(7-12)8-16-21-9-15(28-16)13-5-2-6-26-13/h1-7,9,14,17-20,22-25H,8,10H2/t14-,17-,18+,19-,20+/m1/s1
InChIKeyVAZLGXBKVYVPOA-QSWMPLQWSA-N
XLogP1.51
TPSA116.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53322676) is (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](c2cccc(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is VAZLGXBKVYVPOA-QSWMPLQWSA-N. The full InChI is InChI=1S/C20H21NO6S/c22-10-14-17(23)18(24)19(25)20(27-14)12-4-1-3-11(7-12)8-16-21-9-15(28-16)13-5-2-6-26-13/h1-7,9,14,17-20,22-25H,8,10H2/t14-,17-,18+,19-,20+/m1/s1.
What are the key properties of (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 403.46 g/mol, XLogP of 1.51, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53322676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).