1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C13H21NOS — CID 64776642

IUPAC1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)C2CCC(C)CC2)cs1
InChIInChI=1S/C13H21NOS/c1-9-3-5-11(6-4-9)13(15)7-12-8-16-10(2)14-12/h8-9,11,13,15H,3-7H2,1-2H3
InChIKeyFNXSIOUMSZYZOZ-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 64776642) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID64776642
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)C2CCC(C)CC2)cs1
InChIInChI=1S/C13H21NOS/c1-9-3-5-11(6-4-9)13(15)7-12-8-16-10(2)14-12/h8-9,11,13,15H,3-7H2,1-2H3
InChIKeyFNXSIOUMSZYZOZ-UHFFFAOYSA-N
XLogP3.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiazole, 4-(2-ethyltetrahydro-2-methyl-2H-pyran-4-yl)-2-methyl-
CID 2861819
2-Methyl-4-(2-propyloxan-4-yl)-1,3-thiazole
CID 2861834
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 65862729
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 65862932
4,4,4-Trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312549
2-(2-Methyl-1,3-thiazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 105106679
1-(4,4-Difluorocyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106712
2-(2-Methyl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105106713
2-(2-Methyl-1,3-thiazol-4-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105106767
2-(4-Tert-butyl-1,3-thiazol-2-yl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105115650
2-(4-Methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 105117606
1-(4,4-Difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 105117629

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 64776642) is 1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)C2CCC(C)CC2)cs1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is FNXSIOUMSZYZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9-3-5-11(6-4-9)13(15)7-12-8-16-10(2)14-12/h8-9,11,13,15H,3-7H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 239.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 64776642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).