2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C14H21NO3S — CID 116744696

IUPAC2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCOC(c1nc(C)c(C(=O)O)s1)C1CCCCC1
InChIInChI=1S/C14H21NO3S/c1-3-18-11(10-7-5-4-6-8-10)13-15-9(2)12(19-13)14(16)17/h10-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyYCBFGLQJZMHWAT-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.81
Rot. Bonds5

About 2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 116744696) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID116744696
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCOC(c1nc(C)c(C(=O)O)s1)C1CCCCC1
InChIInChI=1S/C14H21NO3S/c1-3-18-11(10-7-5-4-6-8-10)13-15-9(2)12(19-13)14(16)17/h10-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyYCBFGLQJZMHWAT-UHFFFAOYSA-N
XLogP3.81
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(ethoxy)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359644
2-[cyclopropyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360410
2-[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744592
N-[[2-[cyclohexyl(ethoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 116778062
ethyl 2-[cyclohexyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 116744481
[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362042
2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82024576
2-[3-(cyclopentylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58031441
2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765118
N-(cyclohexylmethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55684410
4-methyl-2-(2-propylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 83061710
5-bromo-3-[cyclohexyl(ethoxy)methyl]-1,2,4-thiadiazole
CID 102617950

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 116744696) is 2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is CCOC(c1nc(C)c(C(=O)O)s1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YCBFGLQJZMHWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-18-11(10-7-5-4-6-8-10)13-15-9(2)12(19-13)14(16)17/h10-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 283.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 116744696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).