ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate

C15H12F3N3O4S — CID 13177563

IUPACethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccc(NC(=O)C(F)(F)F)cc2)cs1
InChIInChI=1S/C15H12F3N3O4S/c1-2-25-12(23)11(22)21-14-20-10(7-26-14)8-3-5-9(6-4-8)19-13(24)15(16,17)18/h3-7H,2H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyJNBFMPSYYDEPFL-UHFFFAOYSA-N
MW387.34 g/mol
LogP2.81
Rot. Bonds4

About ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate

ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate (PubChem CID 13177563) has the molecular formula C15H12F3N3O4S and a molecular weight of 387.34 g/mol. Its IUPAC name is ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate
PubChem CID13177563
Molecular FormulaC15H12F3N3O4S
Molecular Weight387.34 g/mol
Exact Mass387.05
IUPAC Nameethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate
SMILESCCOC(=O)C(=O)Nc1nc(-c2ccc(NC(=O)C(F)(F)F)cc2)cs1
InChIInChI=1S/C15H12F3N3O4S/c1-2-25-12(23)11(22)21-14-20-10(7-26-14)8-3-5-9(6-4-8)19-13(24)15(16,17)18/h3-7H,2H2,1H3,(H,19,24)(H,20,21,22)
InChIKeyJNBFMPSYYDEPFL-UHFFFAOYSA-N
XLogP2.81
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate with MolForge

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Related Compounds

ethyl 2-oxo-2-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]acetate
CID 3068160
ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 13177556
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 3068161
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269
2,2,2-trifluoro-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 5130084
2,2,2-trifluoroethyl N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamate
CID 50989248
ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate
CID 110461558
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
2,2,2-trifluoro-N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 1497723
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]nonanamide
CID 4183627

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate?
The IUPAC name of ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate (CID 13177563) is ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate is CCOC(=O)C(=O)Nc1nc(-c2ccc(NC(=O)C(F)(F)F)cc2)cs1.
What is the InChIKey of ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate?
The InChIKey is JNBFMPSYYDEPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4S/c1-2-25-12(23)11(22)21-14-20-10(7-26-14)8-3-5-9(6-4-8)19-13(24)15(16,17)18/h3-7H,2H2,1H3,(H,19,24)(H,20,21,22).
What are the key properties of ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate?
ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate has a molecular weight of 387.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate is sourced from PubChem (CID 13177563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).