ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate

C9H7F3N2O2S — CID 142621377

IUPACethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)sc2cncn12
InChIInChI=1S/C9H7F3N2O2S/c1-2-16-8(15)6-7(9(10,11)12)17-5-3-13-4-14(5)6/h3-4H,2H2,1H3
InChIKeyZCOVVFIBYVPKDD-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.59
Rot. Bonds2

About ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate

ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate (PubChem CID 142621377) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate
PubChem CID142621377
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Nameethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)sc2cncn12
InChIInChI=1S/C9H7F3N2O2S/c1-2-16-8(15)6-7(9(10,11)12)17-5-3-13-4-14(5)6/h3-4H,2H2,1H3
InChIKeyZCOVVFIBYVPKDD-UHFFFAOYSA-N
XLogP2.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate (CID 142621377) is ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)sc2cncn12.
What is the InChIKey of ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate?
The InChIKey is ZCOVVFIBYVPKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c1-2-16-8(15)6-7(9(10,11)12)17-5-3-13-4-14(5)6/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate?
ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate has a molecular weight of 264.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethyl)imidazo[5,1-b][1,3]thiazole-3-carboxylate is sourced from PubChem (CID 142621377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).