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

C21H17F3N2O3S — CID 2309201

IUPACethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C21H17F3N2O3S/c1-3-29-19(28)17-12(2)25-20(30-17)26-18(27)16-7-5-4-6-15(16)13-8-10-14(11-9-13)21(22,23)24/h4-11H,3H2,1-2H3,(H,25,26,27)
InChIKeyKWVUPHIRLKJFHK-UHFFFAOYSA-N
MW434.44 g/mol
LogP5.57
Rot. Bonds5

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

ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 2309201) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID2309201
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC Nameethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C21H17F3N2O3S/c1-3-29-19(28)17-12(2)25-20(30-17)26-18(27)16-7-5-4-6-15(16)13-8-10-14(11-9-13)21(22,23)24/h4-11H,3H2,1-2H3,(H,25,26,27)
InChIKeyKWVUPHIRLKJFHK-UHFFFAOYSA-N
XLogP5.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
ethyl 4-methyl-2-[[4-(2-oxochromen-3-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 39044279
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2441220
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1366564
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 31245887
ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 2334051
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2432236
ethyl 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4072242
ethyl 2-[(4-ethylsulfanylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7579199

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate (CID 2309201) is ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is KWVUPHIRLKJFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c1-3-29-19(28)17-12(2)25-20(30-17)26-18(27)16-7-5-4-6-15(16)13-8-10-14(11-9-13)21(22,23)24/h4-11H,3H2,1-2H3,(H,25,26,27).
What are the key properties of ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 434.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2309201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).