5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole

C10H16ClN3S — CID 130948770

IUPAC5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC(CCl)C2C)n1
InChIInChI=1S/C10H16ClN3S/c1-3-9-12-10(15-13-9)14-5-4-8(6-11)7(14)2/h7-8H,3-6H2,1-2H3
InChIKeyZEMCZZWCGJGDTK-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.55
Rot. Bonds3

About 5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole

5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole (PubChem CID 130948770) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole
PubChem CID130948770
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCC(CCl)C2C)n1
InChIInChI=1S/C10H16ClN3S/c1-3-9-12-10(15-13-9)14-5-4-8(6-11)7(14)2/h7-8H,3-6H2,1-2H3
InChIKeyZEMCZZWCGJGDTK-UHFFFAOYSA-N
XLogP2.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776659
3-ethyl-5-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazole
CID 133463957
3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 133428859
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 65277628
3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
CID 65277768
3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 65280832
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
5-(3-bromopyrrolidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 80670014
cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol
CID 126454632
2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol
CID 126814537
3-ethyl-5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,2,4-thiadiazole
CID 124886552

Frequently Asked Questions

What is the IUPAC name of 5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole (CID 130948770) is 5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CCC(CCl)C2C)n1.
What is the InChIKey of 5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The InChIKey is ZEMCZZWCGJGDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-3-9-12-10(15-13-9)14-5-4-8(6-11)7(14)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole?
5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole has a molecular weight of 245.78 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 130948770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).