5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole

C11H19N3OS — CID 84595118

IUPAC5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2C(C)CCC2C)n1
InChIInChI=1S/C11H19N3OS/c1-8-4-5-9(2)14(8)11-12-10(13-16-11)6-7-15-3/h8-9H,4-7H2,1-3H3
InChIKeyKVSSDKWSLXQMAG-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.10
Rot. Bonds4

About 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole

5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole (PubChem CID 84595118) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
PubChem CID84595118
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
SMILESCOCCc1nsc(N2C(C)CCC2C)n1
InChIInChI=1S/C11H19N3OS/c1-8-4-5-9(2)14(8)11-12-10(13-16-11)6-7-15-3/h8-9H,4-7H2,1-3H3
InChIKeyKVSSDKWSLXQMAG-UHFFFAOYSA-N
XLogP2.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole (CID 84595118) is 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole is COCCc1nsc(N2C(C)CCC2C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
The InChIKey is KVSSDKWSLXQMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-4-5-9(2)14(8)11-12-10(13-16-11)6-7-15-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole?
5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole has a molecular weight of 241.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 84595118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).