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

C14H23NOS — CID 64740229

IUPAC1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)C2CCC(C)C(C)C2)cs1
InChIInChI=1S/C14H23NOS/c1-9-4-5-12(6-10(9)2)14(16)7-13-8-17-11(3)15-13/h8-10,12,14,16H,4-7H2,1-3H3
InChIKeyQPEVFDNRPRLWKQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.43
Rot. Bonds3

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

1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 64740229) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID64740229
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)C2CCC(C)C(C)C2)cs1
InChIInChI=1S/C14H23NOS/c1-9-4-5-12(6-10(9)2)14(16)7-13-8-17-11(3)15-13/h8-10,12,14,16H,4-7H2,1-3H3
InChIKeyQPEVFDNRPRLWKQ-UHFFFAOYSA-N
XLogP3.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-methoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 116712400
2-(2-methyl-1,3-thiazol-4-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79922112
(3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105154535
1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115386438
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
[1-cyclopentyl-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105204440
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-(3,4-dimethylcyclohexyl)-3-pyridin-2-ylpropan-1-ol
CID 105103145
1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116572640
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820
N-[1-(4-ethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64774218

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 64740229) is 1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)C2CCC(C)C(C)C2)cs1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is QPEVFDNRPRLWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-9-4-5-12(6-10(9)2)14(16)7-13-8-17-11(3)15-13/h8-10,12,14,16H,4-7H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 253.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 64740229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).