1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol

C7H11N3O2S — CID 106673242

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
SMILESCc1nsc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C7H11N3O2S/c1-4-8-7(13-9-4)10-2-5(11)6(12)3-10/h5-6,11-12H,2-3H2,1H3
InChIKeySGYOGZKCNNRFMJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.61
Rot. Bonds1

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol

1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol (PubChem CID 106673242) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
PubChem CID106673242
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
SMILESCc1nsc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C7H11N3O2S/c1-4-8-7(13-9-4)10-2-5(11)6(12)3-10/h5-6,11-12H,2-3H2,1H3
InChIKeySGYOGZKCNNRFMJ-UHFFFAOYSA-N
XLogP-0.61
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 75435506
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
1-(5-Methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90400215
1-Methoxy-3-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 65273332
1-[Methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 65273394
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 65273454
1-[Methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 65274771
2-[2-Hydroxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274823
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 65275115

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol (CID 106673242) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol is Cc1nsc(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
The InChIKey is SGYOGZKCNNRFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-4-8-7(13-9-4)10-2-5(11)6(12)3-10/h5-6,11-12H,2-3H2,1H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol?
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol has a molecular weight of 201.25 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106673242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).