ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate

C17H27NO2S — CID 80573665

IUPACethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H27NO2S/c1-5-20-15(19)10-14-11-21-16(18-14)12-6-8-13(9-7-12)17(2,3)4/h11-13H,5-10H2,1-4H3
InChIKeyCMDLDXFZNMTMHK-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.57
Rot. Bonds4

About ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate (PubChem CID 80573665) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate
PubChem CID80573665
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Nameethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C17H27NO2S/c1-5-20-15(19)10-14-11-21-16(18-14)12-6-8-13(9-7-12)17(2,3)4/h11-13H,5-10H2,1-4H3
InChIKeyCMDLDXFZNMTMHK-UHFFFAOYSA-N
XLogP4.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 2-[2-[(4-tert-butylcyclohexanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 46510209
ethyl 2-[2-(1-prop-2-enoylpiperidin-4-yl)-1,3-thiazol-4-yl]acetate
CID 166408511
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 3-[2-(4-propylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 103485335
ethyl 3-(2-cyclohexyl-1,3-thiazol-4-yl)propanoate
CID 103485101
methyl 2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetate
CID 80574008
ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574669
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-thiazol-4-yl]acetate
CID 80574132

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate (CID 80573665) is ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(C2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is CMDLDXFZNMTMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-5-20-15(19)10-14-11-21-16(18-14)12-6-8-13(9-7-12)17(2,3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 309.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-tert-butylcyclohexyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80573665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).