(2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one

C14H19NO7S — CID 44613947

IUPAC(2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one
SMILESCO[C@H]1O[C@H](CN2C(=O)CS[C@H]2c2ccco2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H19NO7S/c1-20-14-12(19)11(18)10(17)8(22-14)5-15-9(16)6-23-13(15)7-3-2-4-21-7/h2-4,8,10-14,17-19H,5-6H2,1H3/t8-,10-,11+,12-,13+,14+/m1/s1
InChIKeyFKNGIWKFEYAAGR-VJIDBOODSA-N
MW345.37 g/mol
LogP-0.69
Rot. Bonds4

About (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one

(2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one (PubChem CID 44613947) has the molecular formula C14H19NO7S and a molecular weight of 345.37 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one
PubChem CID44613947
Molecular FormulaC14H19NO7S
Molecular Weight345.37 g/mol
Exact Mass345.09
IUPAC Name(2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one
SMILESCO[C@H]1O[C@H](CN2C(=O)CS[C@H]2c2ccco2)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H19NO7S/c1-20-14-12(19)11(18)10(17)8(22-14)5-15-9(16)6-23-13(15)7-3-2-4-21-7/h2-4,8,10-14,17-19H,5-6H2,1H3/t8-,10-,11+,12-,13+,14+/m1/s1
InChIKeyFKNGIWKFEYAAGR-VJIDBOODSA-N
XLogP-0.69
TPSA112.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2R)-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-2-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-1,3-thiazolidin-4-one
CID 53375605
(2R)-2-[(3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one
CID 71465258
(2R)-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]-3-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]-1,3-thiazolidin-4-one
CID 53375630
methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 129362185
(2R)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 92530307
3-(4-benzoylphenyl)-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 10521764
3-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3860765
2-(furan-2-yl)-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 6421742
(2S,3S,4S,5S)-2-((18F)fluoromethyl)-6-methoxyoxane-3,4,5-triol
CID 15949247
1-[(3,4-dihydroxy-5-methoxyoxolan-2-yl)methyl]-2-methylsulfanylpyrimidin-4-one
CID 513506
3-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 21204936
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one (CID 44613947) is (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one is CO[C@H]1O[C@H](CN2C(=O)CS[C@H]2c2ccco2)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is FKNGIWKFEYAAGR-VJIDBOODSA-N. The full InChI is InChI=1S/C14H19NO7S/c1-20-14-12(19)11(18)10(17)8(22-14)5-15-9(16)6-23-13(15)7-3-2-4-21-7/h2-4,8,10-14,17-19H,5-6H2,1H3/t8-,10-,11+,12-,13+,14+/m1/s1.
What are the key properties of (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one?
(2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 345.37 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 44613947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).