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

C8H14N4S2 — CID 82128573

IUPAC2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESNCCSc1nnc(N2CCCC2)s1
InChIInChI=1S/C8H14N4S2/c9-3-6-13-8-11-10-7(14-8)12-4-1-2-5-12/h1-6,9H2
InChIKeyXSTDNVFESOKREP-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.19
Rot. Bonds4

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

2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 82128573) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
PubChem CID82128573
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC Name2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESNCCSc1nnc(N2CCCC2)s1
InChIInChI=1S/C8H14N4S2/c9-3-6-13-8-11-10-7(14-8)12-4-1-2-5-12/h1-6,9H2
InChIKeyXSTDNVFESOKREP-UHFFFAOYSA-N
XLogP1.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (CID 82128573) is 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is NCCSc1nnc(N2CCCC2)s1.
What is the InChIKey of 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is XSTDNVFESOKREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c9-3-6-13-8-11-10-7(14-8)12-4-1-2-5-12/h1-6,9H2.
What are the key properties of 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 230.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 82128573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).