(2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one

C14H17NO5S — CID 56655895

IUPAC(2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](C2O[C@H](CO)[C@@H](O)[C@@H]2O)N1c1ccccc1
InChIInChI=1S/C14H17NO5S/c16-6-9-11(18)12(19)13(20-9)14-15(10(17)7-21-14)8-4-2-1-3-5-8/h1-5,9,11-14,16,18-19H,6-7H2/t9-,11-,12+,13?,14-/m1/s1
InChIKeyNFRVIIMYFOECRT-SOCRKWRCSA-N
MW311.36 g/mol
LogP-0.43
Rot. Bonds3

About (2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one

(2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 56655895) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is (2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID56655895
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Name(2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](C2O[C@H](CO)[C@@H](O)[C@@H]2O)N1c1ccccc1
InChIInChI=1S/C14H17NO5S/c16-6-9-11(18)12(19)13(20-9)14-15(10(17)7-21-14)8-4-2-1-3-5-8/h1-5,9,11-14,16,18-19H,6-7H2/t9-,11-,12+,13?,14-/m1/s1
InChIKeyNFRVIIMYFOECRT-SOCRKWRCSA-N
XLogP-0.43
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 95402321
3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 53497781
(3R,4R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-phenyl-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]azetidin-2-one
CID 139993045
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 22294337
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(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
(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
6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-2-one
CID 22297162
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
1-phenyl-3-[4-[2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]phenyl]azetidin-2-one
CID 139993053

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one (CID 56655895) is (2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one is O=C1CS[C@H](C2O[C@H](CO)[C@@H](O)[C@@H]2O)N1c1ccccc1.
What is the InChIKey of (2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is NFRVIIMYFOECRT-SOCRKWRCSA-N. The full InChI is InChI=1S/C14H17NO5S/c16-6-9-11(18)12(19)13(20-9)14-15(10(17)7-21-14)8-4-2-1-3-5-8/h1-5,9,11-14,16,18-19H,6-7H2/t9-,11-,12+,13?,14-/m1/s1.
What are the key properties of (2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one?
(2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 311.36 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 56655895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).