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

C9H15N3S — CID 89274435

IUPAC5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole
SMILESCC(C)N1CCC[C@H]1c1ncns1
InChIInChI=1S/C9H15N3S/c1-7(2)12-5-3-4-8(12)9-10-6-11-13-9/h6-8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyPCDJIZPLIXEGSF-QMMMGPOBSA-N
MW197.31 g/mol
LogP2.08
Rot. Bonds2

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

5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole (PubChem CID 89274435) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole
PubChem CID89274435
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole
SMILESCC(C)N1CCC[C@H]1c1ncns1
InChIInChI=1S/C9H15N3S/c1-7(2)12-5-3-4-8(12)9-10-6-11-13-9/h6-8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyPCDJIZPLIXEGSF-QMMMGPOBSA-N
XLogP2.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
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
5-[(2S)-pyrrolidin-2-yl]-1,2,4-thiadiazole
CID 68841070
5-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole
CID 89274432
5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-thiadiazole
CID 89283717
5-(1-Methylpyrrolidin-2-yl)-1,2,4-thiadiazole
CID 89283719
N,N-diethyl-1-(1,2,4-thiadiazol-5-yl)ethanamine
CID 141122334
1-(1,2,4-Thiadiazol-5-yl)butan-1-amine
CID 82415875
1,2-Dimethyl-2-(1,2,4-thiadiazol-5-yl)pyrrolidin-3-amine
CID 112709840
3-Ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole
CID 126989757

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole (CID 89274435) is 5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole is CC(C)N1CCC[C@H]1c1ncns1.
What is the InChIKey of 5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole?
The InChIKey is PCDJIZPLIXEGSF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7(2)12-5-3-4-8(12)9-10-6-11-13-9/h6-8H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of 5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole?
5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole has a molecular weight of 197.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 89274435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).