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

C21H20F3NO6S — CID 53320047

IUPAC(2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2ccc(C(F)(F)F)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H20F3NO6S/c22-21(23,24)12-4-3-10(20-19(29)18(28)17(27)14(9-26)31-20)6-11(12)7-16-25-8-15(32-16)13-2-1-5-30-13/h1-6,8,14,17-20,26-29H,7,9H2/t14-,17-,18+,19-,20+/m1/s1
InChIKeyGWMWTMVAPOQIPH-QSWMPLQWSA-N
MW471.45 g/mol
LogP2.53
Rot. Bonds5

About (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethyl)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]-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 53320047) has the molecular formula C21H20F3NO6S and a molecular weight of 471.45 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethyl)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]-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID53320047
Molecular FormulaC21H20F3NO6S
Molecular Weight471.45 g/mol
Exact Mass471.10
IUPAC Name(2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2ccc(C(F)(F)F)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H20F3NO6S/c22-21(23,24)12-4-3-10(20-19(29)18(28)17(27)14(9-26)31-20)6-11(12)7-16-25-8-15(32-16)13-2-1-5-30-13/h1-6,8,14,17-20,26-29H,7,9H2/t14-,17-,18+,19-,20+/m1/s1
InChIKeyGWMWTMVAPOQIPH-QSWMPLQWSA-N
XLogP2.53
TPSA116.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.45
LogP ≤ 52.53
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]-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3R,4R,5S,6S)-2-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-(iodomethyl)oxane-3,4,5-triol
CID 86680892
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-methyloxane-3,4,5-triol
CID 123741023
tert-butyl [(2R,3S,4R,5R,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methyl carbonate
CID 140604825
(2S,3R,4R,5S,6R)-2-[4-chloro-5-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-(prop-2-enoxymethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 53329034
benzyl [(2R,3S,4R,5R,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methyl carbonate
CID 140604830
(2S,3R,4R,5S,6R)-2-[3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67995424
methyl 2-[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]-4-methylbenzenesulfonate
CID 54769537
(2S,3R,4R,5S,6R)-2-[4-cyclopropyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59267202
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-hydroxy-3-[(5-phenyl-1,3-thiazol-2-yl)methyl]naphthalen-1-yl]oxane-3,4,5-triol
CID 54769310
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-bromo-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]oxan-2-yl]methyl acetate
CID 86680890
1-[(2R,3S,4R,5S,6S)-3,4,5-tributoxy-6-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]oxan-2-yl]ethanol
CID 89494826
[(2S,3R,4S,5R,6R)-3-acetyloxy-2-[4-cyano-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-ethyl-5-methyloxan-4-yl] acetate
CID 89492705

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]-4-(trifluoromethyl)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]-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 53320047) is (2S,3R,4R,5S,6R)-2-[3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-4-(trifluoromethyl)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]-4-(trifluoromethyl)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]-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](c2ccc(C(F)(F)F)c(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]-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is GWMWTMVAPOQIPH-QSWMPLQWSA-N. The full InChI is InChI=1S/C21H20F3NO6S/c22-21(23,24)12-4-3-10(20-19(29)18(28)17(27)14(9-26)31-20)6-11(12)7-16-25-8-15(32-16)13-2-1-5-30-13/h1-6,8,14,17-20,26-29H,7,9H2/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]-4-(trifluoromethyl)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]-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 471.45 g/mol, XLogP of 2.53, 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]-4-(trifluoromethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 53320047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).