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

C14H23NOS — CID 64776643

IUPAC1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCCC1CCC(C(O)Cc2csc(C)n2)CC1
InChIInChI=1S/C14H23NOS/c1-3-11-4-6-12(7-5-11)14(16)8-13-9-17-10(2)15-13/h9,11-12,14,16H,3-8H2,1-2H3
InChIKeyDEOCNDIFIBAXRB-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.57
Rot. Bonds4

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

1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 64776643) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID64776643
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCCC1CCC(C(O)Cc2csc(C)n2)CC1
InChIInChI=1S/C14H23NOS/c1-3-11-4-6-12(7-5-11)14(16)8-13-9-17-10(2)15-13/h9,11-12,14,16H,3-8H2,1-2H3
InChIKeyDEOCNDIFIBAXRB-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.57
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-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 64776643) is 1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is CCC1CCC(C(O)Cc2csc(C)n2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is DEOCNDIFIBAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-3-11-4-6-12(7-5-11)14(16)8-13-9-17-10(2)15-13/h9,11-12,14,16H,3-8H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 253.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 64776643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).