(3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

C9H14N2O5S — CID 88737553

IUPAC(3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNc1nc(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cs1
InChIInChI=1S/C9H14N2O5S/c10-9-11-3(2-17-9)8-7(15)6(14)5(13)4(1-12)16-8/h2,4-8,12-15H,1H2,(H2,10,11)/t4-,5-,6+,7-,8?/m1/s1
InChIKeyYGCZJISCUJRMOD-KEWYIRBNSA-N
MW262.29 g/mol
LogP-1.76
Rot. Bonds2

About (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol

(3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 88737553) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID88737553
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name(3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNc1nc(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cs1
InChIInChI=1S/C9H14N2O5S/c10-9-11-3(2-17-9)8-7(15)6(14)5(13)4(1-12)16-8/h2,4-8,12-15H,1H2,(H2,10,11)/t4-,5-,6+,7-,8?/m1/s1
InChIKeyYGCZJISCUJRMOD-KEWYIRBNSA-N
XLogP-1.76
TPSA129.06 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 56631883
2-(hydroxymethyl)-6-[3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]phenyl]oxane-3,4,5-triol
CID 123330367
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-thiophen-3-yloxane-3,4,5-triol
CID 102451889
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]thiophene-3-carboxamide
CID 10038171
2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
CID 123302128
(3R,4S,5R)-2-(5-amino-1H-imidazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67171845
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
4-amino-6-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
CID 135818715
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(1,2-thiazol-5-yl)oxolane-3,4-diol
CID 156788784

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol (CID 88737553) is (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol is Nc1nc(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cs1.
What is the InChIKey of (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is YGCZJISCUJRMOD-KEWYIRBNSA-N. The full InChI is InChI=1S/C9H14N2O5S/c10-9-11-3(2-17-9)8-7(15)6(14)5(13)4(1-12)16-8/h2,4-8,12-15H,1H2,(H2,10,11)/t4-,5-,6+,7-,8?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol?
(3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 262.29 g/mol, XLogP of -1.76, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 88737553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).