(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol

C8H13N3O2S — CID 75435506

IUPAC(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
SMILESCCc1nsc(N2C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C8H13N3O2S/c1-2-7-9-8(14-10-7)11-3-5(12)6(13)4-11/h5-6,12-13H,2-4H2,1H3/t5-,6+
InChIKeyKVYDSHJLAFYNCT-OLQVQODUSA-N
MW215.28 g/mol
LogP-0.36
Rot. Bonds2

About (3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol

(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol (PubChem CID 75435506) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is (3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
PubChem CID75435506
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
SMILESCCc1nsc(N2C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C8H13N3O2S/c1-2-7-9-8(14-10-7)11-3-5(12)6(13)4-11/h5-6,12-13H,2-4H2,1H3/t5-,6+
InChIKeyKVYDSHJLAFYNCT-OLQVQODUSA-N
XLogP-0.36
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673242
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305696
(3R)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305738
(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-ol
CID 107305739
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-3,4-diol
CID 107305757
(2S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976999
(2S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111977001
1-(5-Methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90400215
2-[Butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273331
1-Methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 65273332
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 65273454
2-[Ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274660

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol (CID 75435506) is (3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol is CCc1nsc(N2C[C@@H](O)[C@@H](O)C2)n1.
What is the InChIKey of (3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
The InChIKey is KVYDSHJLAFYNCT-OLQVQODUSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-7-9-8(14-10-7)11-3-5(12)6(13)4-11/h5-6,12-13H,2-4H2,1H3/t5-,6+.
What are the key properties of (3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol has a molecular weight of 215.28 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 75435506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).