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

C15H11F3N2O2S — CID 68755528

IUPACethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc3[nH]ccc3c2)nc1C(F)(F)F
InChIInChI=1S/C15H11F3N2O2S/c1-2-22-14(21)11-12(15(16,17)18)20-13(23-11)9-3-4-10-8(7-9)5-6-19-10/h3-7,19H,2H2,1H3
InChIKeyHWFPXRJMQMANCZ-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.49
Rot. Bonds3

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

ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 68755528) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID68755528
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Nameethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc3[nH]ccc3c2)nc1C(F)(F)F
InChIInChI=1S/C15H11F3N2O2S/c1-2-22-14(21)11-12(15(16,17)18)20-13(23-11)9-3-4-10-8(7-9)5-6-19-10/h3-7,19H,2H2,1H3
InChIKeyHWFPXRJMQMANCZ-UHFFFAOYSA-N
XLogP4.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 68755528) is ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc3[nH]ccc3c2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is HWFPXRJMQMANCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-2-22-14(21)11-12(15(16,17)18)20-13(23-11)9-3-4-10-8(7-9)5-6-19-10/h3-7,19H,2H2,1H3.
What are the key properties of ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 340.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 68755528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).