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

C14H12F3NO2S — CID 2737210

IUPACethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C14H12F3NO2S/c1-3-20-13(19)11-8(2)18-12(21-11)9-4-6-10(7-5-9)14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyLPIXRQSYBTUXOQ-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.31
Rot. Bonds3

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

ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate (PubChem CID 2737210) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
PubChem CID2737210
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Nameethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C14H12F3NO2S/c1-3-20-13(19)11-8(2)18-12(21-11)9-4-6-10(7-5-9)14(15,16)17/h4-7H,3H2,1-2H3
InChIKeyLPIXRQSYBTUXOQ-UHFFFAOYSA-N
XLogP4.31
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 2743970
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 2763625
Ethyl 5-acetyl-2-phenylthiazole-4-carboxylate
CID 2745356
Methyl 4-(dibromomethyl)-2-(4-chlorophenyl)thiazole-5-carboxylate
CID 24951029
4-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acid
CID 2775663
Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 7131013
Ethyl 4-phenylthiazole-5-carboxylate
CID 13441325
4-Methyl-2-(3-(trifluoromethyl)phenyl)-1,3-thiazole-5-carboxylic acid
CID 1483671
Ethyl 2-(4-chlorophenyl)-4-(dibromomethyl)-1,3-thiazole-5-carboxylate
CID 51355719
Methyl 4-(bromomethyl)-2-(4-chlorophenyl)-1,3-thiazole-5-carboxylate
CID 51356268
2-(2-Fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980371

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate (CID 2737210) is ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is LPIXRQSYBTUXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-3-20-13(19)11-8(2)18-12(21-11)9-4-6-10(7-5-9)14(15,16)17/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 315.32 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2737210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).