1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol

C13H21NOS — CID 65391060

IUPAC1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2CCC(C)(C)CC2)n1
InChIInChI=1S/C13H21NOS/c1-9(15)11-8-16-12(14-11)10-4-6-13(2,3)7-5-10/h8-10,15H,4-7H2,1-3H3
InChIKeyKWZVARPVMTYRPG-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.88
Rot. Bonds2

About 1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol

1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 65391060) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol
PubChem CID65391060
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2CCC(C)(C)CC2)n1
InChIInChI=1S/C13H21NOS/c1-9(15)11-8-16-12(14-11)10-4-6-13(2,3)7-5-10/h8-10,15H,4-7H2,1-3H3
InChIKeyKWZVARPVMTYRPG-UHFFFAOYSA-N
XLogP3.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Cyclopropyl-1,3-thiazol-4-yl)ethan-1-ol
CID 64543111
(4-Cyclohexyl-1,3-thiazol-2-yl)methanol
CID 62923957
(2-(4,4-Difluorocyclohexyl)thiazol-4-yl)methanol
CID 89872954
[2-(1,7-Difluoroheptan-4-yl)-1,3-thiazol-4-yl]methanol
CID 146558472
[2-(4-Fluorocyclohexyl)-1,3-thiazol-4-yl]methanol
CID 151621227
1-(2-Isopropylthiazol-4-yl)ethan-1-ol
CID 18758937
[2-(3,3-Dimethylbutyl)-1,3-thiazol-4-yl]methanol
CID 59238379
[2-[6-(4-Methylcyclohexyl)hexyl]-1,3-thiazol-4-yl]methanol
CID 59545496
2-cyclohexyl-4-Thiazolemethanol
CID 65576361
1-(4-(Hydroxymethyl)-thiazol-2-yl)cyclohexanol
CID 89873017
[2-(6-Cyclohexylhexyl)-1,3-thiazol-4-yl]methanol
CID 91074460
1-Cyclohexyl-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethanol
CID 117981456

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol (CID 65391060) is 1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(C2CCC(C)(C)CC2)n1.
What is the InChIKey of 1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is KWZVARPVMTYRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9(15)11-8-16-12(14-11)10-4-6-13(2,3)7-5-10/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 239.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 65391060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).