(2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol

C11H20N4O5S — CID 170419932

IUPAC(2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1Nc1nc(N(C)C)ns1
InChIInChI=1S/C11H20N4O5S/c1-15(2)10-13-11(21-14-10)12-6-8(18)7(17)5(4-16)20-9(6)19-3/h5-9,16-18H,4H2,1-3H3,(H,12,13,14)/t5-,6+,7+,8-,9+/m1/s1
InChIKeyVWGGVBWCUBAOGG-NXRLNHOXSA-N
MW320.37 g/mol
LogP-1.53
Rot. Bonds5

About (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol

(2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol (PubChem CID 170419932) has the molecular formula C11H20N4O5S and a molecular weight of 320.37 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
PubChem CID170419932
Molecular FormulaC11H20N4O5S
Molecular Weight320.37 g/mol
Exact Mass320.12
IUPAC Name(2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
SMILESCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1Nc1nc(N(C)C)ns1
InChIInChI=1S/C11H20N4O5S/c1-15(2)10-13-11(21-14-10)12-6-8(18)7(17)5(4-16)20-9(6)19-3/h5-9,16-18H,4H2,1-3H3,(H,12,13,14)/t5-,6+,7+,8-,9+/m1/s1
InChIKeyVWGGVBWCUBAOGG-NXRLNHOXSA-N
XLogP-1.53
TPSA120.20 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-5-[[3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-yl]amino]oxane-3,4-diol
CID 166975422
5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 166975464
(2R,3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 167221600
5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 175827969
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol (CID 170419932) is (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1Nc1nc(N(C)C)ns1.
What is the InChIKey of (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The InChIKey is VWGGVBWCUBAOGG-NXRLNHOXSA-N. The full InChI is InChI=1S/C11H20N4O5S/c1-15(2)10-13-11(21-14-10)12-6-8(18)7(17)5(4-16)20-9(6)19-3/h5-9,16-18H,4H2,1-3H3,(H,12,13,14)/t5-,6+,7+,8-,9+/m1/s1.
What are the key properties of (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
(2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol has a molecular weight of 320.37 g/mol, XLogP of -1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-5-[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is sourced from PubChem (CID 170419932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).