trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol

C7H10N2OS2 — CID 102735798

IUPACtrans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Sc1ncns1
InChIInChI=1S/C7H10N2OS2/c10-5-2-1-3-6(5)11-7-8-4-9-12-7/h4-6,10H,1-3H2/t5-,6-/m0/s1
InChIKeyNWLZLTPYCWSUIT-WDSKDSINSA-N
MW202.30 g/mol
LogP1.54
Rot. Bonds2

About trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol

trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol (PubChem CID 102735798) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol
PubChem CID102735798
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Nametrans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Sc1ncns1
InChIInChI=1S/C7H10N2OS2/c10-5-2-1-3-6(5)11-7-8-4-9-12-7/h4-6,10H,1-3H2/t5-,6-/m0/s1
InChIKeyNWLZLTPYCWSUIT-WDSKDSINSA-N
XLogP1.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol (CID 102735798) is trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Sc1ncns1.
What is the InChIKey of trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol?
The InChIKey is NWLZLTPYCWSUIT-WDSKDSINSA-N. The full InChI is InChI=1S/C7H10N2OS2/c10-5-2-1-3-6(5)11-7-8-4-9-12-7/h4-6,10H,1-3H2/t5-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol?
trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol has a molecular weight of 202.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1,2,4-thiadiazol-5-ylsulfanyl)cyclopentan-1-ol is sourced from PubChem (CID 102735798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).