(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol

C9H15N3O5S — CID 167408544

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
SMILESCOc1nsc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C9H15N3O5S/c1-16-8-11-9(18-12-8)10-4-3-17-5(2-13)7(15)6(4)14/h4-7,13-15H,2-3H2,1H3,(H,10,11,12)/t4-,5+,6+,7-/m0/s1
InChIKeyYCLJCWIBVSKQBV-WNJXEPBRSA-N
MW277.30 g/mol
LogP-1.56
Rot. Bonds4

About (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol (PubChem CID 167408544) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
PubChem CID167408544
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
SMILESCOc1nsc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C9H15N3O5S/c1-16-8-11-9(18-12-8)10-4-3-17-5(2-13)7(15)6(4)14/h4-7,13-15H,2-3H2,1H3,(H,10,11,12)/t4-,5+,6+,7-/m0/s1
InChIKeyYCLJCWIBVSKQBV-WNJXEPBRSA-N
XLogP-1.56
TPSA116.96 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]oxane-3,4-diol
CID 167408546
(2R,3R,4R,5R)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 163893297
(2R,3R,4R,5R)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 165180123
(2R,3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 165180216
(2R,3R,4R,5R,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 165180233
(2R,3R,4R,5R,6R)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 165180242
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-yl]amino]oxane-3,4-diol
CID 165180249
(2R,3R,4R,5S)-5-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 165180252
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol
CID 165180257
(2R,3R,4R,5S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166681978
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-[(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
CID 166975421
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol
CID 166975538

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol (CID 167408544) is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol is COc1nsc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
The InChIKey is YCLJCWIBVSKQBV-WNJXEPBRSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-16-8-11-9(18-12-8)10-4-3-17-5(2-13)7(15)6(4)14/h4-7,13-15H,2-3H2,1H3,(H,10,11,12)/t4-,5+,6+,7-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol has a molecular weight of 277.30 g/mol, XLogP of -1.56, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methoxy-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol is sourced from PubChem (CID 167408544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).