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

C10H13NO2S — CID 63906718

IUPACethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C2CC2)cs1
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)5-9-11-8(6-14-9)7-3-4-7/h6-7H,2-5H2,1H3
InChIKeyIYQXYSFQURNDKN-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.13
Rot. Bonds4

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

ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate (PubChem CID 63906718) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate
PubChem CID63906718
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc(C2CC2)cs1
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)5-9-11-8(6-14-9)7-3-4-7/h6-7H,2-5H2,1H3
InChIKeyIYQXYSFQURNDKN-UHFFFAOYSA-N
XLogP2.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate (CID 63906718) is ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate is CCOC(=O)Cc1nc(C2CC2)cs1.
What is the InChIKey of ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate?
The InChIKey is IYQXYSFQURNDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-13-10(12)5-9-11-8(6-14-9)7-3-4-7/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate?
ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate has a molecular weight of 211.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate is sourced from PubChem (CID 63906718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).