ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate

C17H27NO2S — CID 103485335

IUPACethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate
SMILESCCCC1CCC(c2nc(CCC(=O)OCC)cs2)CC1
InChIInChI=1S/C17H27NO2S/c1-3-5-13-6-8-14(9-7-13)17-18-15(12-21-17)10-11-16(19)20-4-2/h12-14H,3-11H2,1-2H3
InChIKeyROPVPGSKDZQUGA-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.71
Rot. Bonds7

About ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 103485335) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate
PubChem CID103485335
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Nameethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate
SMILESCCCC1CCC(c2nc(CCC(=O)OCC)cs2)CC1
InChIInChI=1S/C17H27NO2S/c1-3-5-13-6-8-14(9-7-13)17-18-15(12-21-17)10-11-16(19)20-4-2/h12-14H,3-11H2,1-2H3
InChIKeyROPVPGSKDZQUGA-UHFFFAOYSA-N
XLogP4.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101
ethyl 3-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]propanoate
CID 103485368
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
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
2-(4-propylcyclohexyl)-1,3-thiazol-4-ol
CID 130501522
ethyl 3-[2-[(2-propylcyclopropyl)amino]-1,3-thiazol-4-yl]propanoate
CID 114112567
ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485198
4-(4-propyl-1,3-thiazol-2-yl)cyclohexane-1-carboxylic acid
CID 116965847
4-(2-cyclobutyl-1,3-thiazol-4-yl)butan-2-one
CID 116890297
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate (CID 103485335) is ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate is CCCC1CCC(c2nc(CCC(=O)OCC)cs2)CC1.
What is the InChIKey of ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is ROPVPGSKDZQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-5-13-6-8-14(9-7-13)17-18-15(12-21-17)10-11-16(19)20-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 309.48 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103485335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).