1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

C7H11N3OS — CID 65273454

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESCc1nsc(N2CCC(O)C2)n1
InChIInChI=1S/C7H11N3OS/c1-5-8-7(12-9-5)10-3-2-6(11)4-10/h6,11H,2-4H2,1H3
InChIKeyPQKZKUDAKKZSBG-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.42
Rot. Bonds1

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol

1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 65273454) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
PubChem CID65273454
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
SMILESCc1nsc(N2CCC(O)C2)n1
InChIInChI=1S/C7H11N3OS/c1-5-8-7(12-9-5)10-3-2-6(11)4-10/h6,11H,2-4H2,1H3
InChIKeyPQKZKUDAKKZSBG-UHFFFAOYSA-N
XLogP0.42
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-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
[5-(Diethylamino)-1,2,4-thiadiazol-3-yl]methanol
CID 68420770
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-ol
CID 65273094
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
CID 65273150
2-[Methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273209
2-[Ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273269
2-[2-Hydroxyethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65273271

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol (CID 65273454) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is Cc1nsc(N2CCC(O)C2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is PQKZKUDAKKZSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5-8-7(12-9-5)10-3-2-6(11)4-10/h6,11H,2-4H2,1H3.
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol?
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 185.25 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 65273454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).