ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate

C18H21NO3S — CID 71264813

IUPACethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2nc(-c3ccccc3O)cs2)CC1
InChIInChI=1S/C18H21NO3S/c1-2-22-18(21)13-9-7-12(8-10-13)17-19-15(11-23-17)14-5-3-4-6-16(14)20/h3-6,11-13,20H,2,7-10H2,1H3
InChIKeyZNGFRKBFNLKLKU-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.35
Rot. Bonds4

About ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate

ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate (PubChem CID 71264813) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
PubChem CID71264813
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Nameethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(c2nc(-c3ccccc3O)cs2)CC1
InChIInChI=1S/C18H21NO3S/c1-2-22-18(21)13-9-7-12(8-10-13)17-19-15(11-23-17)14-5-3-4-6-16(14)20/h3-6,11-13,20H,2,7-10H2,1H3
InChIKeyZNGFRKBFNLKLKU-UHFFFAOYSA-N
XLogP4.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxylate
CID 125499503
ethyl 1-[4-(3-amino-2-hydroxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 89411721
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl 4-(2-methylpyrimidin-4-yl)cyclohexane-1-carboxylate
CID 58484998
ethyl 4-(6-chloro-2-pyridinyl)cyclohexane-1-carboxylate
CID 58485016
4-(2-bromophenyl)-2-(4-ethylcyclohexyl)-1,3-thiazole
CID 79831597
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 4-(6-propan-2-yl-2-pyridinyl)cyclohexane-1-carboxylate
CID 58485008
4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 55084434
tert-butyl 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 68778443
prop-2-ynyl 4-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 3691311
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate (CID 71264813) is ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(c2nc(-c3ccccc3O)cs2)CC1.
What is the InChIKey of ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate?
The InChIKey is ZNGFRKBFNLKLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-2-22-18(21)13-9-7-12(8-10-13)17-19-15(11-23-17)14-5-3-4-6-16(14)20/h3-6,11-13,20H,2,7-10H2,1H3.
What are the key properties of ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate?
ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate has a molecular weight of 331.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 71264813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).