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

C11H19N3S2 — CID 104755981

IUPAC1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine
SMILESCCc1nsc(SCC(N)C2CCCC2)n1
InChIInChI=1S/C11H19N3S2/c1-2-10-13-11(16-14-10)15-7-9(12)8-5-3-4-6-8/h8-9H,2-7,12H2,1H3
InChIKeyXHCITXWVEGSUGL-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.71
Rot. Bonds5

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

1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine (PubChem CID 104755981) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is 1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine
PubChem CID104755981
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine
SMILESCCc1nsc(SCC(N)C2CCCC2)n1
InChIInChI=1S/C11H19N3S2/c1-2-10-13-11(16-14-10)15-7-9(12)8-5-3-4-6-8/h8-9H,2-7,12H2,1H3
InChIKeyXHCITXWVEGSUGL-UHFFFAOYSA-N
XLogP2.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine?
The IUPAC name of 1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine (CID 104755981) is 1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine is CCc1nsc(SCC(N)C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine?
The InChIKey is XHCITXWVEGSUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-2-10-13-11(16-14-10)15-7-9(12)8-5-3-4-6-8/h8-9H,2-7,12H2,1H3.
What are the key properties of 1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine?
1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine has a molecular weight of 257.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine is sourced from PubChem (CID 104755981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).