ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate

C12H17NO2S — CID 62633881

IUPACethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C2CCCC2)cs1
InChIInChI=1S/C12H17NO2S/c1-2-15-12(14)7-11-13-10(8-16-11)9-5-3-4-6-9/h8-9H,2-7H2,1H3
InChIKeyYKAFQKFXCZHSJC-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.91
Rot. Bonds4

About ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate

ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate (PubChem CID 62633881) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate
PubChem CID62633881
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Nameethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C2CCCC2)cs1
InChIInChI=1S/C12H17NO2S/c1-2-15-12(14)7-11-13-10(8-16-11)9-5-3-4-6-9/h8-9H,2-7H2,1H3
InChIKeyYKAFQKFXCZHSJC-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate (CID 62633881) is ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate is CCOC(=O)Cc1nc(C2CCCC2)cs1.
What is the InChIKey of ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate?
The InChIKey is YKAFQKFXCZHSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-15-12(14)7-11-13-10(8-16-11)9-5-3-4-6-9/h8-9H,2-7H2,1H3.
What are the key properties of ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate?
ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate has a molecular weight of 239.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclopentyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 62633881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).