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

C19H30ClN3O3S — CID 166975369

IUPAC(2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol
SMILESO[C@@H]1[C@@H](CNc2nc(Cl)ns2)CO[C@H](C2CCC(CCC3CCC3)C2)[C@@H]1O
InChIInChI=1S/C19H30ClN3O3S/c20-18-22-19(27-23-18)21-9-14-10-26-17(16(25)15(14)24)13-7-6-12(8-13)5-4-11-2-1-3-11/h11-17,24-25H,1-10H2,(H,21,22,23)/t12?,13?,14-,15+,16+,17+/m0/s1
InChIKeyLZBPHEQIXRHRSD-BUJBZJTQSA-N
MW415.99 g/mol
LogP3.34
Rot. Bonds7

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

(2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol (PubChem CID 166975369) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is (2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol
PubChem CID166975369
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name(2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol
SMILESO[C@@H]1[C@@H](CNc2nc(Cl)ns2)CO[C@H](C2CCC(CCC3CCC3)C2)[C@@H]1O
InChIInChI=1S/C19H30ClN3O3S/c20-18-22-19(27-23-18)21-9-14-10-26-17(16(25)15(14)24)13-7-6-12(8-13)5-4-11-2-1-3-11/h11-17,24-25H,1-10H2,(H,21,22,23)/t12?,13?,14-,15+,16+,17+/m0/s1
InChIKeyLZBPHEQIXRHRSD-BUJBZJTQSA-N
XLogP3.34
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-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 (2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol (CID 166975369) is (2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol is O[C@@H]1[C@@H](CNc2nc(Cl)ns2)CO[C@H](C2CCC(CCC3CCC3)C2)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol?
The InChIKey is LZBPHEQIXRHRSD-BUJBZJTQSA-N. The full InChI is InChI=1S/C19H30ClN3O3S/c20-18-22-19(27-23-18)21-9-14-10-26-17(16(25)15(14)24)13-7-6-12(8-13)5-4-11-2-1-3-11/h11-17,24-25H,1-10H2,(H,21,22,23)/t12?,13?,14-,15+,16+,17+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol?
(2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol has a molecular weight of 415.99 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-5-[[(3-chloro-1,2,4-thiadiazol-5-yl)amino]methyl]-2-[3-(2-cyclobutylethyl)cyclopentyl]oxane-3,4-diol is sourced from PubChem (CID 166975369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).