1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol

C13H21NO2S — CID 116755093

IUPAC1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESCOC1(C(O)Cc2cncs2)CCCC(C)C1
InChIInChI=1S/C13H21NO2S/c1-10-4-3-5-13(7-10,16-2)12(15)6-11-8-14-9-17-11/h8-10,12,15H,3-7H2,1-2H3
InChIKeyOONQMTNTZKAUFM-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.64
Rot. Bonds4

About 1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol

1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 116755093) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID116755093
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol
SMILESCOC1(C(O)Cc2cncs2)CCCC(C)C1
InChIInChI=1S/C13H21NO2S/c1-10-4-3-5-13(7-10,16-2)12(15)6-11-8-14-9-17-11/h8-10,12,15H,3-7H2,1-2H3
InChIKeyOONQMTNTZKAUFM-UHFFFAOYSA-N
XLogP2.64
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
1-(1-methoxy-3-methylcyclohexyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 116754998
1-(1-methoxycyclobutyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 116714429
2-(2,3-dichlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 107308282
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642567
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754910
[1-(1-methoxy-3-methylcyclohexyl)-2-thiophen-2-ylethyl]hydrazine
CID 105277607
1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116754943
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
CID 104610489
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510
1-(1-methoxy-3-methylcyclohexyl)-4-(oxolan-2-yl)butan-1-ol
CID 116755036

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol (CID 116755093) is 1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol is COC1(C(O)Cc2cncs2)CCCC(C)C1.
What is the InChIKey of 1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is OONQMTNTZKAUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10-4-3-5-13(7-10,16-2)12(15)6-11-8-14-9-17-11/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of 1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol?
1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 255.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 116755093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).