2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid

C11H10F3N3O3S — CID 166307451

IUPAC2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCC(NCc1nc(C(=O)O)co1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H10F3N3O3S/c1-5(9-17-7(4-21-9)11(12,13)14)15-2-8-16-6(3-20-8)10(18)19/h3-5,15H,2H2,1H3,(H,18,19)
InChIKeyZRMUCHRMWGNXLL-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.70
Rot. Bonds5

About 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid

2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 166307451) has the molecular formula C11H10F3N3O3S and a molecular weight of 321.28 g/mol. Its IUPAC name is 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID166307451
Molecular FormulaC11H10F3N3O3S
Molecular Weight321.28 g/mol
Exact Mass321.04
IUPAC Name2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCC(NCc1nc(C(=O)O)co1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H10F3N3O3S/c1-5(9-17-7(4-21-9)11(12,13)14)15-2-8-16-6(3-20-8)10(18)19/h3-5,15H,2H2,1H3,(H,18,19)
InChIKeyZRMUCHRMWGNXLL-UHFFFAOYSA-N
XLogP2.70
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

N-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]amino]acetamide
CID 129471742
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 167249314
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 75521477
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]-1,3-thiazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 166263804
2-(2,2-difluoropropyl)-1,3-oxazole-4-carboxylic acid
CID 130727392
2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375286
3-[2-oxo-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]ethyl]imidazole-4-carboxylic acid
CID 166303710
2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
2-[1-[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 166263805
2-(aminomethyl)-1,3-oxazole-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154577366
(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 92669559
2-[(4-fluoroanilino)methyl]-1,3-oxazole-4-carboxylic acid
CID 82291528

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid (CID 166307451) is 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid is CC(NCc1nc(C(=O)O)co1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is ZRMUCHRMWGNXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3S/c1-5(9-17-7(4-21-9)11(12,13)14)15-2-8-16-6(3-20-8)10(18)19/h3-5,15H,2H2,1H3,(H,18,19).
What are the key properties of 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 321.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 166307451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).