(2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C8H10BrNO4S — CID 100938522

IUPAC(2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2cnc(Br)s2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H10BrNO4S/c9-8-10-1-4(15-8)7-6(13)5(12)3(2-11)14-7/h1,3,5-7,11-13H,2H2/t3-,5-,6-,7+/m1/s1
InChIKeyJCGAMFCETDGETO-QMTIVRBISA-N
MW296.14 g/mol
LogP0.06
Rot. Bonds2

About (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 100938522) has the molecular formula C8H10BrNO4S and a molecular weight of 296.14 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID100938522
Molecular FormulaC8H10BrNO4S
Molecular Weight296.14 g/mol
Exact Mass294.95
IUPAC Name(2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2cnc(Br)s2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H10BrNO4S/c9-8-10-1-4(15-8)7-6(13)5(12)3(2-11)14-7/h1,3,5-7,11-13H,2H2/t3-,5-,6-,7+/m1/s1
InChIKeyJCGAMFCETDGETO-QMTIVRBISA-N
XLogP0.06
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol
CID 156788784
(2S,3S,4R,5R)-2-(5-bromo-3-pyridinyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 5274359
2-amino-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-6-thione
CID 169423588
2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
CID 20513127
(2R,3R,4R,5S,6S)-2-(4-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 125425129
(2R,3S,4R)-2-(hydroxymethyl)-5-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)oxolane-3,4-diol
CID 67089170
(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67171845
5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
CID 154664844
5-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
CID 154664836
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
CID 118005028
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-3-pyridinyl)oxolane-3,4-diol
CID 91505027

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 100938522) is (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](c2cnc(Br)s2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is JCGAMFCETDGETO-QMTIVRBISA-N. The full InChI is InChI=1S/C8H10BrNO4S/c9-8-10-1-4(15-8)7-6(13)5(12)3(2-11)14-7/h1,3,5-7,11-13H,2H2/t3-,5-,6-,7+/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 296.14 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(2-bromo-1,3-thiazol-5-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 100938522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).