(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol

C9H15N3O5S — CID 165180257

IUPAC(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1Nc1ncns1
InChIInChI=1S/C9H15N3O5S/c1-16-8-5(12-9-10-3-11-18-9)7(15)6(14)4(2-13)17-8/h3-8,13-15H,2H2,1H3,(H,10,11,12)/t4-,5-,6+,7-,8-/m1/s1
InChIKeyQADWWTCXFIKTMV-JAJWTYFOSA-N
MW277.30 g/mol
LogP-1.60
Rot. Bonds4

About (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol

(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol (PubChem CID 165180257) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol
PubChem CID165180257
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1Nc1ncns1
InChIInChI=1S/C9H15N3O5S/c1-16-8-5(12-9-10-3-11-18-9)7(15)6(14)4(2-13)17-8/h3-8,13-15H,2H2,1H3,(H,10,11,12)/t4-,5-,6+,7-,8-/m1/s1
InChIKeyQADWWTCXFIKTMV-JAJWTYFOSA-N
XLogP-1.60
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 ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol (CID 165180257) is (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol is CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1Nc1ncns1.
What is the InChIKey of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol?
The InChIKey is QADWWTCXFIKTMV-JAJWTYFOSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-16-8-5(12-9-10-3-11-18-9)7(15)6(14)4(2-13)17-8/h3-8,13-15H,2H2,1H3,(H,10,11,12)/t4-,5-,6+,7-,8-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol?
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol has a molecular weight of 277.30 g/mol, XLogP of -1.60, 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,6R)-2-(hydroxymethyl)-6-methoxy-5-(1,2,4-thiadiazol-5-ylamino)oxane-3,4-diol is sourced from PubChem (CID 165180257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).