2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole

C8H13N3S2 — CID 60564124

IUPAC2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCCSc1nnc(N2CCCC2)s1
InChIInChI=1S/C8H13N3S2/c1-2-12-8-10-9-7(13-8)11-5-3-4-6-11/h2-6H2,1H3
InChIKeyXFYYJHXRTMHJEN-UHFFFAOYSA-N
MW215.35 g/mol
LogP2.25
Rot. Bonds3

About 2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole

2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (PubChem CID 60564124) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
PubChem CID60564124
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCCSc1nnc(N2CCCC2)s1
InChIInChI=1S/C8H13N3S2/c1-2-12-8-10-9-7(13-8)11-5-3-4-6-11/h2-6H2,1H3
InChIKeyXFYYJHXRTMHJEN-UHFFFAOYSA-N
XLogP2.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (CID 60564124) is 2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is CCSc1nnc(N2CCCC2)s1.
What is the InChIKey of 2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The InChIKey is XFYYJHXRTMHJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-2-12-8-10-9-7(13-8)11-5-3-4-6-11/h2-6H2,1H3.
What are the key properties of 2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole has a molecular weight of 215.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 60564124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).