5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole

C6H9N3S — CID 68841070

IUPAC5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole
SMILESc1nsc([C@@H]2CCCN2)n1
InChIInChI=1S/C6H9N3S/c1-2-5(7-3-1)6-8-4-9-10-6/h4-5,7H,1-3H2/t5-/m0/s1
InChIKeyMGMBSCAJIZVMDZ-YFKPBYRVSA-N
MW155.23 g/mol
LogP0.96
Rot. Bonds1

About 5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole

5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole (PubChem CID 68841070) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole
PubChem CID68841070
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole
SMILESc1nsc([C@@H]2CCCN2)n1
InChIInChI=1S/C6H9N3S/c1-2-5(7-3-1)6-8-4-9-10-6/h4-5,7H,1-3H2/t5-/m0/s1
InChIKeyMGMBSCAJIZVMDZ-YFKPBYRVSA-N
XLogP0.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Pyrrolidin-2-yl-1,2,4-thiadiazole
CID 19934504
5-(1-Propan-2-ylpyrrolidin-2-yl)-1,2,4-thiadiazole
CID 68335030
N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine
CID 82415856
5-Pyrrolidin-3-yl-1,2,4-thiadiazole
CID 82595706
3-Methyl-5-pyrrolidin-2-yl-1,2,4-thiadiazole
CID 82598063
5-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole
CID 89274432
5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole
CID 89274435
5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole
CID 89283717
5-(1-Methylpyrrolidin-2-yl)-1,2,4-thiadiazole
CID 89283719
5-methyl-3-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole
CID 96739324
N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65276205
N-methyl-1-(1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65279995

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole (CID 68841070) is 5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole is c1nsc([C@@H]2CCCN2)n1.
What is the InChIKey of 5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole?
The InChIKey is MGMBSCAJIZVMDZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9N3S/c1-2-5(7-3-1)6-8-4-9-10-6/h4-5,7H,1-3H2/t5-/m0/s1.
What are the key properties of 5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole?
5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole has a molecular weight of 155.23 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 68841070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).