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

C10H18N4O4S — CID 166975464

IUPAC5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCN(C)c1nsc(NC2COC(CO)C(O)C2O)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)
InChIKeyWWGSPORHPCPXED-UHFFFAOYSA-N
MW290.35 g/mol
LogP-1.50
Rot. Bonds4

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

5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 166975464) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID166975464
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCN(C)c1nsc(NC2COC(CO)C(O)C2O)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)
InChIKeyWWGSPORHPCPXED-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol (CID 166975464) is 5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol is CN(C)c1nsc(NC2COC(CO)C(O)C2O)n1.
What is the InChIKey of 5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is WWGSPORHPCPXED-UHFFFAOYSA-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).
What are the key properties of 5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol?
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 5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 166975464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).