2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

C10H15N3OS3 — CID 84602751

IUPAC2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCCSc1nnc(SCC(=O)N2CCCC2)s1
InChIInChI=1S/C10H15N3OS3/c1-2-15-9-11-12-10(17-9)16-7-8(14)13-5-3-4-6-13/h2-7H2,1H3
InChIKeyRYMRJOOZVNKKCM-UHFFFAOYSA-N
MW289.45 g/mol
LogP2.36
Rot. Bonds5

About 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 84602751) has the molecular formula C10H15N3OS3 and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID84602751
Molecular FormulaC10H15N3OS3
Molecular Weight289.45 g/mol
Exact Mass289.04
IUPAC Name2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCCSc1nnc(SCC(=O)N2CCCC2)s1
InChIInChI=1S/C10H15N3OS3/c1-2-15-9-11-12-10(17-9)16-7-8(14)13-5-3-4-6-13/h2-7H2,1H3
InChIKeyRYMRJOOZVNKKCM-UHFFFAOYSA-N
XLogP2.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CID 84602751) is 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is CCSc1nnc(SCC(=O)N2CCCC2)s1.
What is the InChIKey of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is RYMRJOOZVNKKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS3/c1-2-15-9-11-12-10(17-9)16-7-8(14)13-5-3-4-6-13/h2-7H2,1H3.
What are the key properties of 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 289.45 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 84602751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).