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

C12H17NOS — CID 155190878

IUPAC4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol
SMILESCC1C=CC(O)(CCc2ccns2)CC1
InChIInChI=1S/C12H17NOS/c1-10-2-6-12(14,7-3-10)8-4-11-5-9-13-15-11/h2,5-6,9-10,14H,3-4,7-8H2,1H3
InChIKeyFSFXENYHAQEECN-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.79
Rot. Bonds3

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

4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol (PubChem CID 155190878) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol
PubChem CID155190878
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol
SMILESCC1C=CC(O)(CCc2ccns2)CC1
InChIInChI=1S/C12H17NOS/c1-10-2-6-12(14,7-3-10)8-4-11-5-9-13-15-11/h2,5-6,9-10,14H,3-4,7-8H2,1H3
InChIKeyFSFXENYHAQEECN-UHFFFAOYSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.79
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-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol?
The IUPAC name of 4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol (CID 155190878) is 4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol?
The canonical SMILES for 4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol is CC1C=CC(O)(CCc2ccns2)CC1.
What is the InChIKey of 4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol?
The InChIKey is FSFXENYHAQEECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10-2-6-12(14,7-3-10)8-4-11-5-9-13-15-11/h2,5-6,9-10,14H,3-4,7-8H2,1H3.
What are the key properties of 4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol?
4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol has a molecular weight of 223.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 155190878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).