(2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol

C11H17NOS — CID 130892426

IUPAC(2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol
SMILESCC1CCCCC1C(O)c1ccsn1
InChIInChI=1S/C11H17NOS/c1-8-4-2-3-5-9(8)11(13)10-6-7-14-12-10/h6-9,11,13H,2-5H2,1H3
InChIKeyAKWSZJYBIKHUKL-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.00
Rot. Bonds2

About (2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol

(2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol (PubChem CID 130892426) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol
PubChem CID130892426
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol
SMILESCC1CCCCC1C(O)c1ccsn1
InChIInChI=1S/C11H17NOS/c1-8-4-2-3-5-9(8)11(13)10-6-7-14-12-10/h6-9,11,13H,2-5H2,1H3
InChIKeyAKWSZJYBIKHUKL-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-4-methyl-1-(1,2-thiazol-3-yl)pentan-1-ol
CID 70041804
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
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
Thian-2-yl(1,2-thiazol-3-yl)methanol
CID 126985730
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
Cyclopropyl(1,2-thiazol-3-yl)methanol
CID 127002567
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol (CID 130892426) is (2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol is CC1CCCCC1C(O)c1ccsn1.
What is the InChIKey of (2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is AKWSZJYBIKHUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8-4-2-3-5-9(8)11(13)10-6-7-14-12-10/h6-9,11,13H,2-5H2,1H3.
What are the key properties of (2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol?
(2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol has a molecular weight of 211.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 130892426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).