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

C9H15N3O3S — CID 166975385

IUPAC(2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
SMILESCc1nsc(N[C@H]2CO[C@H](C)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C9H15N3O3S/c1-4-7(13)8(14)6(3-15-4)11-9-10-5(2)12-16-9/h4,6-8,13-14H,3H2,1-2H3,(H,10,11,12)/t4-,6+,7+,8-/m1/s1
InChIKeyXYJOFFVFFNWCIN-YDKYIBAVSA-N
MW245.30 g/mol
LogP-0.23
Rot. Bonds2

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

(2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol (PubChem CID 166975385) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
PubChem CID166975385
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name(2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
SMILESCc1nsc(N[C@H]2CO[C@H](C)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C9H15N3O3S/c1-4-7(13)8(14)6(3-15-4)11-9-10-5(2)12-16-9/h4,6-8,13-14H,3H2,1-2H3,(H,10,11,12)/t4-,6+,7+,8-/m1/s1
InChIKeyXYJOFFVFFNWCIN-YDKYIBAVSA-N
XLogP-0.23
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65267579
(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,5S)-5-[(3-amino-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 165180252
(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,5S)-5-[(3-bromo-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 167408511
(2R,3R,4R,5R)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 165180160
(2R,3R,4R,5S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166681882
5-[[3-(Dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975464
5-[(3-Chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975674
(2R,3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 167221600
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
CID 167408469

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol (CID 166975385) is (2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol is Cc1nsc(N[C@H]2CO[C@H](C)[C@H](O)[C@@H]2O)n1.
What is the InChIKey of (2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
The InChIKey is XYJOFFVFFNWCIN-YDKYIBAVSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-4-7(13)8(14)6(3-15-4)11-9-10-5(2)12-16-9/h4,6-8,13-14H,3H2,1-2H3,(H,10,11,12)/t4-,6+,7+,8-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol has a molecular weight of 245.30 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol is sourced from PubChem (CID 166975385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).