cyclohexen-1-yl(1,3-thiazol-5-yl)methanol

C10H13NOS — CID 106651555

IUPACcyclohexen-1-yl(1,3-thiazol-5-yl)methanol
SMILESOC(C1=CCCCC1)c1cncs1
InChIInChI=1S/C10H13NOS/c12-10(9-6-11-7-13-9)8-4-2-1-3-5-8/h4,6-7,10,12H,1-3,5H2
InChIKeyDQQIENLQFDDUFG-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.68
Rot. Bonds2

About cyclohexen-1-yl(1,3-thiazol-5-yl)methanol

cyclohexen-1-yl(1,3-thiazol-5-yl)methanol (PubChem CID 106651555) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is cyclohexen-1-yl(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Namecyclohexen-1-yl(1,3-thiazol-5-yl)methanol
PubChem CID106651555
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Namecyclohexen-1-yl(1,3-thiazol-5-yl)methanol
SMILESOC(C1=CCCCC1)c1cncs1
InChIInChI=1S/C10H13NOS/c12-10(9-6-11-7-13-9)8-4-2-1-3-5-8/h4,6-7,10,12H,1-3,5H2
InChIKeyDQQIENLQFDDUFG-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

cyclohepten-1-yl(1,3-thiazol-5-yl)methanol
CID 106651556
N-[cycloocten-1-yl(1,3-thiazol-5-yl)methyl]ethanamine
CID 106654007
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
cyclohepten-1-yl(thiophen-2-yl)methanol
CID 62077908
(4-chlorothiophen-2-yl)-(cycloocten-1-yl)methanol
CID 106651291
cyclohexen-1-ylmethanediol
CID 21392290
cycloocten-1-yl-(4,5-dibromothiophen-2-yl)methanol
CID 106651691
cyclohexen-1-yl-(5-methyl-3-pyridinyl)methanol
CID 106657893
cyclohepten-1-yl-(5-methylpyrazin-2-yl)methanol
CID 106657819
(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol
CID 63796459
cyclopenten-1-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 55033988
(5-chloro-2-pyridinyl)-(cyclohepten-1-yl)methanol
CID 106657827

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(1,3-thiazol-5-yl)methanol?
The IUPAC name of cyclohexen-1-yl(1,3-thiazol-5-yl)methanol (CID 106651555) is cyclohexen-1-yl(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for cyclohexen-1-yl(1,3-thiazol-5-yl)methanol?
The canonical SMILES for cyclohexen-1-yl(1,3-thiazol-5-yl)methanol is OC(C1=CCCCC1)c1cncs1.
What is the InChIKey of cyclohexen-1-yl(1,3-thiazol-5-yl)methanol?
The InChIKey is DQQIENLQFDDUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-10(9-6-11-7-13-9)8-4-2-1-3-5-8/h4,6-7,10,12H,1-3,5H2.
What are the key properties of cyclohexen-1-yl(1,3-thiazol-5-yl)methanol?
cyclohexen-1-yl(1,3-thiazol-5-yl)methanol has a molecular weight of 195.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 106651555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).