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

C11H15NOS — CID 165490625

IUPAC4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
SMILESCC1(C)C=CC(O)(c2ccns2)CC1
InChIInChI=1S/C11H15NOS/c1-10(2)4-6-11(13,7-5-10)9-3-8-12-14-9/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyPKEWFDCWIIGYQR-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.71
Rot. Bonds1

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

4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol (PubChem CID 165490625) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
PubChem CID165490625
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
SMILESCC1(C)C=CC(O)(c2ccns2)CC1
InChIInChI=1S/C11H15NOS/c1-10(2)4-6-11(13,7-5-10)9-3-8-12-14-9/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyPKEWFDCWIIGYQR-UHFFFAOYSA-N
XLogP2.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The IUPAC name of 4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol (CID 165490625) is 4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol is CC1(C)C=CC(O)(c2ccns2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
The InChIKey is PKEWFDCWIIGYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-10(2)4-6-11(13,7-5-10)9-3-8-12-14-9/h3-4,6,8,13H,5,7H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol?
4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol has a molecular weight of 209.31 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165490625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).