3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole

C10H17N3OS — CID 133428859

IUPAC3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC2COC)n1
InChIInChI=1S/C10H17N3OS/c1-3-9-11-10(15-12-9)13-6-4-5-8(13)7-14-2/h8H,3-7H2,1-2H3
InChIKeyYISKNYUZZCITQS-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.72
Rot. Bonds4

About 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole

3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole (PubChem CID 133428859) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
PubChem CID133428859
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC2COC)n1
InChIInChI=1S/C10H17N3OS/c1-3-9-11-10(15-12-9)13-6-4-5-8(13)7-14-2/h8H,3-7H2,1-2H3
InChIKeyYISKNYUZZCITQS-UHFFFAOYSA-N
XLogP1.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 65279971
5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133428857
3-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]propan-1-amine
CID 65277768
N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 65280822
4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole
CID 174748579
ethyl 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylate
CID 65274919
2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol
CID 126814537
cis-(1S,2R)-2-[(2R)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]cyclopentan-1-ol
CID 126454632
1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide
CID 154830337
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 65280832
5-(2-propylpyrrolidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 131014603

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole (CID 133428859) is 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole is CCc1nsc(N2CCCC2COC)n1.
What is the InChIKey of 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is YISKNYUZZCITQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-9-11-10(15-12-9)13-6-4-5-8(13)7-14-2/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole?
3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 227.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133428859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).