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

C14H10F3N2O3S- — CID 9154293

IUPAC4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate
SMILESCc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)sc1C(=O)[O-]
InChIInChI=1S/C14H11F3N2O3S/c1-7-12(13(21)22)23-11(18-7)6-10(20)19-9-4-2-3-8(5-9)14(15,16)17/h2-5H,6H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyGHWRKISBQFPTSH-UHFFFAOYSA-M
MW343.31 g/mol
LogP2.02
Rot. Bonds4

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

4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate (PubChem CID 9154293) has the molecular formula C14H10F3N2O3S- and a molecular weight of 343.31 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate
PubChem CID9154293
Molecular FormulaC14H10F3N2O3S-
Molecular Weight343.31 g/mol
Exact Mass343.04
IUPAC Name4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate
SMILESCc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)sc1C(=O)[O-]
InChIInChI=1S/C14H11F3N2O3S/c1-7-12(13(21)22)23-11(18-7)6-10(20)19-9-4-2-3-8(5-9)14(15,16)17/h2-5H,6H2,1H3,(H,19,20)(H,21,22)/p-1
InChIKeyGHWRKISBQFPTSH-UHFFFAOYSA-M
XLogP2.02
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46741096
2-[(4-fluorophenoxy)methyl]-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 16616389
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 14222582
3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110388516
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129
2-(methanesulfonamido)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 100773164
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501440
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]amino] acetate
CID 21321153

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate (CID 9154293) is 4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate is Cc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)sc1C(=O)[O-].
What is the InChIKey of 4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate?
The InChIKey is GHWRKISBQFPTSH-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11F3N2O3S/c1-7-12(13(21)22)23-11(18-7)6-10(20)19-9-4-2-3-8(5-9)14(15,16)17/h2-5H,6H2,1H3,(H,19,20)(H,21,22)/p-1.
What are the key properties of 4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate?
4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate has a molecular weight of 343.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9154293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).