4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol

C11H15NOS — CID 165497787

IUPAC4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
SMILESCCC1C=CC(O)(c2ccns2)CC1
InChIInChI=1S/C11H15NOS/c1-2-9-3-6-11(13,7-4-9)10-5-8-12-14-10/h3,5-6,8-9,13H,2,4,7H2,1H3
InChIKeyRODQRDFCADNVFE-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.71
Rot. Bonds2

About 4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol

4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol (PubChem CID 165497787) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
PubChem CID165497787
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
SMILESCCC1C=CC(O)(c2ccns2)CC1
InChIInChI=1S/C11H15NOS/c1-2-9-3-6-11(13,7-4-9)10-5-8-12-14-10/h3,5-6,8-9,13H,2,4,7H2,1H3
InChIKeyRODQRDFCADNVFE-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The IUPAC name of 4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol (CID 165497787) is 4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol is CCC1C=CC(O)(c2ccns2)CC1.
What is the InChIKey of 4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The InChIKey is RODQRDFCADNVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-9-3-6-11(13,7-4-9)10-5-8-12-14-10/h3,5-6,8-9,13H,2,4,7H2,1H3.
What are the key properties of 4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol has a molecular weight of 209.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165497787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).