trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol

C8H11NOS2 — CID 102735696

IUPACtrans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Sc1nccs1
InChIInChI=1S/C8H11NOS2/c10-6-2-1-3-7(6)12-8-9-4-5-11-8/h4-7,10H,1-3H2/t6-,7-/m0/s1
InChIKeyLXMGYIMNMGUGCB-BQBZGAKWSA-N
MW201.32 g/mol
LogP2.15
Rot. Bonds2

About trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol

trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol (PubChem CID 102735696) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol
PubChem CID102735696
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Nametrans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Sc1nccs1
InChIInChI=1S/C8H11NOS2/c10-6-2-1-3-7(6)12-8-9-4-5-11-8/h4-7,10H,1-3H2/t6-,7-/m0/s1
InChIKeyLXMGYIMNMGUGCB-BQBZGAKWSA-N
XLogP2.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol (CID 102735696) is trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Sc1nccs1.
What is the InChIKey of trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol?
The InChIKey is LXMGYIMNMGUGCB-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H11NOS2/c10-6-2-1-3-7(6)12-8-9-4-5-11-8/h4-7,10H,1-3H2/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol?
trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol has a molecular weight of 201.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1,3-thiazol-2-ylsulfanyl)cyclopentan-1-ol is sourced from PubChem (CID 102735696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).