ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate

C12H15F3N2O2S — CID 80574556

IUPACethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C12H15F3N2O2S/c1-2-19-10(18)5-8-6-20-11(16-8)17(9-3-4-9)7-12(13,14)15/h6,9H,2-5,7H2,1H3
InChIKeyAEZUWIKXNDQMQX-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.78
Rot. Bonds6

About ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574556) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80574556
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Nameethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C12H15F3N2O2S/c1-2-19-10(18)5-8-6-20-11(16-8)17(9-3-4-9)7-12(13,14)15/h6,9H,2-5,7H2,1H3
InChIKeyAEZUWIKXNDQMQX-UHFFFAOYSA-N
XLogP2.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate (CID 80574556) is ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is AEZUWIKXNDQMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-2-19-10(18)5-8-6-20-11(16-8)17(9-3-4-9)7-12(13,14)15/h6,9H,2-5,7H2,1H3.
What are the key properties of ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 308.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).