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

C9H15N3O4S — CID 167408469

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
SMILESCc1nsc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C9H15N3O4S/c1-4-10-9(17-12-4)11-5-3-16-6(2-13)8(15)7(5)14/h5-8,13-15H,2-3H2,1H3,(H,10,11,12)/t5-,6+,7+,8-/m0/s1
InChIKeyPMNWXIALGIUAIO-OSMVPFSASA-N
MW261.30 g/mol
LogP-1.26
Rot. Bonds3

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

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol (PubChem CID 167408469) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
PubChem CID167408469
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
SMILESCc1nsc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1
InChIInChI=1S/C9H15N3O4S/c1-4-10-9(17-12-4)11-5-3-16-6(2-13)8(15)7(5)14/h5-8,13-15H,2-3H2,1H3,(H,10,11,12)/t5-,6+,7+,8-/m0/s1
InChIKeyPMNWXIALGIUAIO-OSMVPFSASA-N
XLogP-1.26
TPSA107.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol (CID 167408469) is (2R,3R,4R,5S)-2-(hydroxymethyl)-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-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol is Cc1nsc(N[C@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)n1.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
The InChIKey is PMNWXIALGIUAIO-OSMVPFSASA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-4-10-9(17-12-4)11-5-3-16-6(2-13)8(15)7(5)14/h5-8,13-15H,2-3H2,1H3,(H,10,11,12)/t5-,6+,7+,8-/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol has a molecular weight of 261.30 g/mol, XLogP of -1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol is sourced from PubChem (CID 167408469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).