1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol

C9H11NOS — CID 130649840

IUPAC1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
SMILESOC1(c2ccsn2)C=CCCC1
InChIInChI=1S/C9H11NOS/c11-9(5-2-1-3-6-9)8-4-7-12-10-8/h2,4-5,7,11H,1,3,6H2
InChIKeyZNSQHFKTBXEGDN-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.07
Rot. Bonds1

About 1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol

1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol (PubChem CID 130649840) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
PubChem CID130649840
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
SMILESOC1(c2ccsn2)C=CCCC1
InChIInChI=1S/C9H11NOS/c11-9(5-2-1-3-6-9)8-4-7-12-10-8/h2,4-5,7,11H,1,3,6H2
InChIKeyZNSQHFKTBXEGDN-UHFFFAOYSA-N
XLogP2.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
4,4-Difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165492038
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
5-Methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
CID 176629056
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
1,2-Dimethyl-4-(1,2-thiazol-3-yl)piperidin-4-ol
CID 126985701
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
(2,2,3,3-Tetramethylcyclopropyl)-(1,2-thiazol-3-yl)methanol
CID 126985705
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 126985713
1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
3,3-Dimethyl-1-(1,2-thiazol-3-yl)butane-1,2-diol
CID 126985715

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol (CID 130649840) is 1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol is OC1(c2ccsn2)C=CCCC1.
What is the InChIKey of 1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol?
The InChIKey is ZNSQHFKTBXEGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-9(5-2-1-3-6-9)8-4-7-12-10-8/h2,4-5,7,11H,1,3,6H2.
What are the key properties of 1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol?
1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol has a molecular weight of 181.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 130649840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).