ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate

C16H15F3N2O3S — CID 50964656

IUPACethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H15F3N2O3S/c1-3-24-13(22)8-21(2)15(23)12-9-25-14(20-12)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,3,8H2,1-2H3
InChIKeyMLGSNIRPIXVFLD-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.46
Rot. Bonds5

About ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate

ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate (PubChem CID 50964656) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate
PubChem CID50964656
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Nameethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H15F3N2O3S/c1-3-24-13(22)8-21(2)15(23)12-9-25-14(20-12)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,3,8H2,1-2H3
InChIKeyMLGSNIRPIXVFLD-UHFFFAOYSA-N
XLogP3.46
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate (CID 50964656) is ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate is CCOC(=O)CN(C)C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate?
The InChIKey is MLGSNIRPIXVFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-3-24-13(22)8-21(2)15(23)12-9-25-14(20-12)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate?
ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate has a molecular weight of 372.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 50964656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).