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

C9H15N3S — CID 126989757

IUPAC3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC2C)n1
InChIInChI=1S/C9H15N3S/c1-3-8-10-9(13-11-8)12-6-4-5-7(12)2/h7H,3-6H2,1-2H3
InChIKeyDYUCGZYSWNGXDB-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.09
Rot. Bonds2

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

3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole (PubChem CID 126989757) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole
PubChem CID126989757
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC2C)n1
InChIInChI=1S/C9H15N3S/c1-3-8-10-9(13-11-8)12-6-4-5-7(12)2/h7H,3-6H2,1-2H3
InChIKeyDYUCGZYSWNGXDB-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole (CID 126989757) is 3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole is CCc1nsc(N2CCCC2C)n1.
What is the InChIKey of 3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is DYUCGZYSWNGXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-8-10-9(13-11-8)12-6-4-5-7(12)2/h7H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole?
3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 197.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 126989757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).