ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate

C19H15F3N2O2S — CID 118732511

IUPACethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc(C(F)(F)F)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H15F3N2O2S/c1-2-26-17(25)16-15(12-6-4-3-5-7-12)24-18(27-16)23-14-10-8-13(9-11-14)19(20,21)22/h3-11H,2H2,1H3,(H,23,24)
InChIKeyDUMQMUCWGSBION-UHFFFAOYSA-N
MW392.40 g/mol
LogP5.75
Rot. Bonds5

About ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate

ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate (PubChem CID 118732511) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
PubChem CID118732511
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Nameethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc(C(F)(F)F)cc2)nc1-c1ccccc1
InChIInChI=1S/C19H15F3N2O2S/c1-2-26-17(25)16-15(12-6-4-3-5-7-12)24-18(27-16)23-14-10-8-13(9-11-14)19(20,21)22/h3-11H,2H2,1H3,(H,23,24)
InChIKeyDUMQMUCWGSBION-UHFFFAOYSA-N
XLogP5.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.40
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate (CID 118732511) is ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ccc(C(F)(F)F)cc2)nc1-c1ccccc1.
What is the InChIKey of ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate?
The InChIKey is DUMQMUCWGSBION-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c1-2-26-17(25)16-15(12-6-4-3-5-7-12)24-18(27-16)23-14-10-8-13(9-11-14)19(20,21)22/h3-11H,2H2,1H3,(H,23,24).
What are the key properties of ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate?
ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate has a molecular weight of 392.40 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 118732511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).