cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol

C10H13NOS — CID 131059323

IUPACcyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)C1CC=CCC1
InChIInChI=1S/C10H13NOS/c12-10(9-6-7-11-13-9)8-4-2-1-3-5-8/h1-2,6-8,10,12H,3-5H2
InChIKeyHFNGFUDCGYRNSL-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.53
Rot. Bonds2

About cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol

cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol (PubChem CID 131059323) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol
PubChem CID131059323
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Namecyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol
SMILESOC(c1ccns1)C1CC=CCC1
InChIInChI=1S/C10H13NOS/c12-10(9-6-7-11-13-9)8-4-2-1-3-5-8/h1-2,6-8,10,12H,3-5H2
InChIKeyHFNGFUDCGYRNSL-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.53
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

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
(2-Fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol
CID 70943225
(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130826100
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 164659228
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165497804
4,4-Difluoro-1-[(1,2-thiazol-5-yl)methyl]cyclohex-2-en-1-ol
CID 165497805
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
3-Phenyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 71123420
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
4-Methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol
CID 155190878

Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol (CID 131059323) is cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol is OC(c1ccns1)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol?
The InChIKey is HFNGFUDCGYRNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-10(9-6-7-11-13-9)8-4-2-1-3-5-8/h1-2,6-8,10,12H,3-5H2.
What are the key properties of cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol?
cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol has a molecular weight of 195.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 131059323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).