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

C9H14ClN3O5S — CID 163662654

IUPAC(3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
SMILESCO[C@H]1OC(CO)[C@H](O)[C@H](O)[C@H]1Nc1nc(Cl)ns1
InChIInChI=1S/C9H14ClN3O5S/c1-17-7-4(11-9-12-8(10)13-19-9)6(16)5(15)3(2-14)18-7/h3-7,14-16H,2H2,1H3,(H,11,12,13)/t3?,4-,5+,6-,7+/m1/s1
InChIKeyIVSJPFLABMPDJX-CRZNTTLGSA-N
MW311.75 g/mol
LogP-0.94
Rot. Bonds4

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

(3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol (PubChem CID 163662654) has the molecular formula C9H14ClN3O5S and a molecular weight of 311.75 g/mol. Its IUPAC name is (3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
PubChem CID163662654
Molecular FormulaC9H14ClN3O5S
Molecular Weight311.75 g/mol
Exact Mass311.03
IUPAC Name(3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
SMILESCO[C@H]1OC(CO)[C@H](O)[C@H](O)[C@H]1Nc1nc(Cl)ns1
InChIInChI=1S/C9H14ClN3O5S/c1-17-7-4(11-9-12-8(10)13-19-9)6(16)5(15)3(2-14)18-7/h3-7,14-16H,2H2,1H3,(H,11,12,13)/t3?,4-,5+,6-,7+/m1/s1
InChIKeyIVSJPFLABMPDJX-CRZNTTLGSA-N
XLogP-0.94
TPSA116.96 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The IUPAC name of (3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol (CID 163662654) is (3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol.
What is the SMILES notation for (3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The canonical SMILES for (3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is CO[C@H]1OC(CO)[C@H](O)[C@H](O)[C@H]1Nc1nc(Cl)ns1.
What is the InChIKey of (3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The InChIKey is IVSJPFLABMPDJX-CRZNTTLGSA-N. The full InChI is InChI=1S/C9H14ClN3O5S/c1-17-7-4(11-9-12-8(10)13-19-9)6(16)5(15)3(2-14)18-7/h3-7,14-16H,2H2,1H3,(H,11,12,13)/t3?,4-,5+,6-,7+/m1/s1.
What are the key properties of (3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
(3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol has a molecular weight of 311.75 g/mol, XLogP of -0.94, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6S)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is sourced from PubChem (CID 163662654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).