2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone

C11H18N4OS2 — CID 2393399

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
SMILESCC[C@H]1CCCCN1C(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H18N4OS2/c1-2-8-5-3-4-6-15(8)9(16)7-17-11-14-13-10(12)18-11/h8H,2-7H2,1H3,(H2,12,13)/t8-/m0/s1
InChIKeyLYKRKWRQXBQYCL-QMMMGPOBSA-N
MW286.43 g/mol
LogP2.00
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone (PubChem CID 2393399) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
PubChem CID2393399
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
SMILESCC[C@H]1CCCCN1C(=O)CSc1nnc(N)s1
InChIInChI=1S/C11H18N4OS2/c1-2-8-5-3-4-6-15(8)9(16)7-17-11-14-13-10(12)18-11/h8H,2-7H2,1H3,(H2,12,13)/t8-/m0/s1
InChIKeyLYKRKWRQXBQYCL-QMMMGPOBSA-N
XLogP2.00
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone (CID 2393399) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone is CC[C@H]1CCCCN1C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone?
The InChIKey is LYKRKWRQXBQYCL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-2-8-5-3-4-6-15(8)9(16)7-17-11-14-13-10(12)18-11/h8H,2-7H2,1H3,(H2,12,13)/t8-/m0/s1.
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone has a molecular weight of 286.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 2393399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).