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

C12H17NOS — CID 165498356

IUPAC4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol
SMILESCCCC1C=CC(O)(c2nccs2)CC1
InChIInChI=1S/C12H17NOS/c1-2-3-10-4-6-12(14,7-5-10)11-13-8-9-15-11/h4,6,8-10,14H,2-3,5,7H2,1H3
InChIKeyLCJBKGDCRLZRCE-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.10
Rot. Bonds3

About 4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol

4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol (PubChem CID 165498356) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol
PubChem CID165498356
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol
SMILESCCCC1C=CC(O)(c2nccs2)CC1
InChIInChI=1S/C12H17NOS/c1-2-3-10-4-6-12(14,7-5-10)11-13-8-9-15-11/h4,6,8-10,14H,2-3,5,7H2,1H3
InChIKeyLCJBKGDCRLZRCE-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol
CID 59743902
2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole
CID 67915715
4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexan-1-one
CID 59017437
N-propyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332772
N-(2-methoxyethyl)-4-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65090297
2-(1-ethoxycycloheptyl)-1,3-thiazole
CID 116782694
1-methyl-3-(1,3-thiazol-2-yl)azetidin-3-ol
CID 67481659
4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol
CID 165498607
N-cyclopropyl-3-ethyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 64516678
4-(2-methylbutan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 63405391
ethyl 1-formyl-4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 123371243
4-ethyl-N-propyl-1-(1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086079

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of 4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol (CID 165498356) is 4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol is CCCC1C=CC(O)(c2nccs2)CC1.
What is the InChIKey of 4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol?
The InChIKey is LCJBKGDCRLZRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-3-10-4-6-12(14,7-5-10)11-13-8-9-15-11/h4,6,8-10,14H,2-3,5,7H2,1H3.
What are the key properties of 4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol?
4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol has a molecular weight of 223.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(1,3-thiazol-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165498356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).