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

C10H18N4O4S — CID 165180160

IUPAC(2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCN(C)c1nsc(N[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C10H18N4O4S/c1-14(2)9-12-10(19-13-9)11-5-4-18-6(3-15)8(17)7(5)16/h5-8,15-17H,3-4H2,1-2H3,(H,11,12,13)/t5-,6-,7-,8+/m1/s1
InChIKeyWWGSPORHPCPXED-XUTVFYLZSA-N
MW290.35 g/mol
LogP-1.50
Rot. Bonds4

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

(2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 165180160) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID165180160
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name(2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCN(C)c1nsc(N[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C10H18N4O4S/c1-14(2)9-12-10(19-13-9)11-5-4-18-6(3-15)8(17)7(5)16/h5-8,15-17H,3-4H2,1-2H3,(H,11,12,13)/t5-,6-,7-,8+/m1/s1
InChIKeyWWGSPORHPCPXED-XUTVFYLZSA-N
XLogP-1.50
TPSA110.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-1.50
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]-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,6R)-2-(hydroxymethyl)-6-methoxy-5-[[3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-yl]amino]oxane-3,4-diol
CID 166975422
(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,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 165180160) is (2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol is CN(C)c1nsc(N[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1.
What is the InChIKey of (2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is WWGSPORHPCPXED-XUTVFYLZSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-14(2)9-12-10(19-13-9)11-5-4-18-6(3-15)8(17)7(5)16/h5-8,15-17H,3-4H2,1-2H3,(H,11,12,13)/t5-,6-,7-,8+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 290.35 g/mol, XLogP of -1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 165180160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).