ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C11H13F3N2O2S — CID 26598048

IUPACethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c1-2-18-9(17)7-8(11(12,13)14)15-10(19-7)16-5-3-4-6-16/h2-6H2,1H3
InChIKeyUFCVXWWKIIUOGF-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.94
Rot. Bonds3

About ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 26598048) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID26598048
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Nameethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCCC2)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O2S/c1-2-18-9(17)7-8(11(12,13)14)15-10(19-7)16-5-3-4-6-16/h2-6H2,1H3
InChIKeyUFCVXWWKIIUOGF-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 26598048) is ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CCCC2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is UFCVXWWKIIUOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-2-18-9(17)7-8(11(12,13)14)15-10(19-7)16-5-3-4-6-16/h2-6H2,1H3.
What are the key properties of ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 294.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 26598048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).