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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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).