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

C7H11N3S — CID 89283717

IUPAC5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole
SMILESCN1CCC[C@H]1c1ncns1
InChIInChI=1S/C7H11N3S/c1-10-4-2-3-6(10)7-8-5-9-11-7/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeySFOBBTJADKNBRR-LURJTMIESA-N
MW169.25 g/mol
LogP1.30
Rot. Bonds1

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

5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole (PubChem CID 89283717) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole
PubChem CID89283717
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole
SMILESCN1CCC[C@H]1c1ncns1
InChIInChI=1S/C7H11N3S/c1-10-4-2-3-6(10)7-8-5-9-11-7/h5-6H,2-4H2,1H3/t6-/m0/s1
InChIKeySFOBBTJADKNBRR-LURJTMIESA-N
XLogP1.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 19934504
CID 19934504
CID 68335030
CID 68335030
CID 68841070
CID 68841070
CID 89274432
CID 89274432
CID 89274435
CID 89274435
CID 89283719
CID 89283719
CID 123621328
CID 123621328
CID 123855676
CID 123855676
CID 141122334
CID 141122334
CID 82415875
CID 82415875
CID 112709840
CID 112709840
CID 130635083
CID 130635083

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole (CID 89283717) is 5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole is CN1CCC[C@H]1c1ncns1.
What is the InChIKey of 5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole?
The InChIKey is SFOBBTJADKNBRR-LURJTMIESA-N. The full InChI is InChI=1S/C7H11N3S/c1-10-4-2-3-6(10)7-8-5-9-11-7/h5-6H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole?
5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole has a molecular weight of 169.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 89283717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).