5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole

C9H15N3S — CID 127447355

IUPAC5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
SMILESCCC1CCN(c2nc(C)ns2)C1
InChIInChI=1S/C9H15N3S/c1-3-8-4-5-12(6-8)9-10-7(2)11-13-9/h8H,3-6H2,1-2H3
InChIKeyIZWAMXHKGHDZPU-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.08
Rot. Bonds2

About 5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole

5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole (PubChem CID 127447355) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
PubChem CID127447355
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
SMILESCCC1CCN(c2nc(C)ns2)C1
InChIInChI=1S/C9H15N3S/c1-3-8-4-5-12(6-8)9-10-7(2)11-13-9/h8H,3-6H2,1-2H3
InChIKeyIZWAMXHKGHDZPU-UHFFFAOYSA-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-[(3S)-3-ethylpiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 99811960
5-[3-(chloromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 65273292
5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126790732
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methyl]ethanamine
CID 65272861
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
CID 65273588
3-methyl-5-[(2R)-2-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133428675
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
CID 59598889
5-(4-chloroazepan-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127004433
3-methyl-5-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 154575527
5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133334882
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 133493215

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole (CID 127447355) is 5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole is CCC1CCN(c2nc(C)ns2)C1.
What is the InChIKey of 5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is IZWAMXHKGHDZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-8-4-5-12(6-8)9-10-7(2)11-13-9/h8H,3-6H2,1-2H3.
What are the key properties of 5-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole?
5-(3-ethylpyrrolidin-1-yl)-3-methyl-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-(3-ethylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 127447355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).