ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate

C13H19NO2S — CID 121319526

IUPACethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2cncs2)CC1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)7-10-3-5-11(6-4-10)12-8-14-9-17-12/h8-11H,2-7H2,1H3
InChIKeyCUDHRWUUSOXKQH-UHFFFAOYSA-N
MW253.37 g/mol
LogP3.37
Rot. Bonds4

About ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate

ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate (PubChem CID 121319526) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate
PubChem CID121319526
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Nameethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2cncs2)CC1
InChIInChI=1S/C13H19NO2S/c1-2-16-13(15)7-10-3-5-11(6-4-10)12-8-14-9-17-12/h8-11H,2-7H2,1H3
InChIKeyCUDHRWUUSOXKQH-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate (CID 121319526) is ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate is CCOC(=O)CC1CCC(c2cncs2)CC1.
What is the InChIKey of ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate?
The InChIKey is CUDHRWUUSOXKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-16-13(15)7-10-3-5-11(6-4-10)12-8-14-9-17-12/h8-11H,2-7H2,1H3.
What are the key properties of ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate?
ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate has a molecular weight of 253.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(1,3-thiazol-5-yl)cyclohexyl]acetate is sourced from PubChem (CID 121319526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).