(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

C13H22N4O6S — CID 166975421

IUPAC(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
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1Nc1nc(N2CCOCC2)ns1
InChIInChI=1S/C13H22N4O6S/c1-21-11-8(10(20)9(19)7(6-18)23-11)14-13-15-12(16-24-13)17-2-4-22-5-3-17/h7-11,18-20H,2-6H2,1H3,(H,14,15,16)/t7-,8-,9+,10-,11-/m1/s1
InChIKeyJWLMLRORAUEPAU-KAMPLNKDSA-N
MW362.41 g/mol
LogP-1.76
Rot. Bonds5

About (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

(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 (PubChem CID 166975421) has the molecular formula C13H22N4O6S and a molecular weight of 362.41 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166975421
Molecular FormulaC13H22N4O6S
Molecular Weight362.41 g/mol
Exact Mass362.13
IUPAC Name(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
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1Nc1nc(N2CCOCC2)ns1
InChIInChI=1S/C13H22N4O6S/c1-21-11-8(10(20)9(19)7(6-18)23-11)14-13-15-12(16-24-13)17-2-4-22-5-3-17/h7-11,18-20H,2-6H2,1H3,(H,14,15,16)/t7-,8-,9+,10-,11-/m1/s1
InChIKeyJWLMLRORAUEPAU-KAMPLNKDSA-N
XLogP-1.76
TPSA129.43 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1Nc1nc(N2CCOCC2)ns1.
What is the InChIKey of (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?
The InChIKey is JWLMLRORAUEPAU-KAMPLNKDSA-N. The full InChI is InChI=1S/C13H22N4O6S/c1-21-11-8(10(20)9(19)7(6-18)23-11)14-13-15-12(16-24-13)17-2-4-22-5-3-17/h7-11,18-20H,2-6H2,1H3,(H,14,15,16)/t7-,8-,9+,10-,11-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 362.41 g/mol, XLogP of -1.76, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166975421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).