4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

C10H11F3N2O2S — CID 55010675

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CN(CC(F)(F)F)C2CC2)cs1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)5-15(7-1-2-7)3-6-4-18-8(14-6)9(16)17/h4,7H,1-3,5H2,(H,16,17)
InChIKeyUFDBOGRYSDACEK-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.37
Rot. Bonds5

About 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 55010675) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID55010675
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CN(CC(F)(F)F)C2CC2)cs1
InChIInChI=1S/C10H11F3N2O2S/c11-10(12,13)5-15(7-1-2-7)3-6-4-18-8(14-6)9(16)17/h4,7H,1-3,5H2,(H,16,17)
InChIKeyUFDBOGRYSDACEK-UHFFFAOYSA-N
XLogP2.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid (CID 55010675) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CN(CC(F)(F)F)C2CC2)cs1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is UFDBOGRYSDACEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c11-10(12,13)5-15(7-1-2-7)3-6-4-18-8(14-6)9(16)17/h4,7H,1-3,5H2,(H,16,17).
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 55010675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).