ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate

C14H21NO2S — CID 103485101

IUPACethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)CCc1csc(C2CCCCC2)n1
InChIInChI=1S/C14H21NO2S/c1-2-17-13(16)9-8-12-10-18-14(15-12)11-6-4-3-5-7-11/h10-11H,2-9H2,1H3
InChIKeyVEXGSGCNCMBNOR-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.69
Rot. Bonds5

About ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate

ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate (PubChem CID 103485101) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
PubChem CID103485101
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Nameethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
SMILESCCOC(=O)CCc1csc(C2CCCCC2)n1
InChIInChI=1S/C14H21NO2S/c1-2-17-13(16)9-8-12-10-18-14(15-12)11-6-4-3-5-7-11/h10-11H,2-9H2,1H3
InChIKeyVEXGSGCNCMBNOR-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 103485335
ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate
CID 103485368
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
ethyl 3-[2-[(2-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485990
ethyl 3-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487795
2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 154793219
4-(2-cyclohexyl-1,3-thiazol-4-yl)-2-methylbutan-2-amine
CID 116888534
ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate
CID 80573665
ethyl 3-[2-[cyclopropylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103486474

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate?
The IUPAC name of ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate (CID 103485101) is ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate is CCOC(=O)CCc1csc(C2CCCCC2)n1.
What is the InChIKey of ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate?
The InChIKey is VEXGSGCNCMBNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-2-17-13(16)9-8-12-10-18-14(15-12)11-6-4-3-5-7-11/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate?
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate has a molecular weight of 267.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 103485101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).