2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid

C7H7F3N2O2S — CID 62753654

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(CC(F)(F)F)c1ncc(C(=O)O)s1
InChIInChI=1S/C7H7F3N2O2S/c1-12(3-7(8,9)10)6-11-2-4(15-6)5(13)14/h2H,3H2,1H3,(H,13,14)
InChIKeyAVIUJAXHELDQRB-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.84
Rot. Bonds3

About 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid

2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62753654) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62753654
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(CC(F)(F)F)c1ncc(C(=O)O)s1
InChIInChI=1S/C7H7F3N2O2S/c1-12(3-7(8,9)10)6-11-2-4(15-6)5(13)14/h2H,3H2,1H3,(H,13,14)
InChIKeyAVIUJAXHELDQRB-UHFFFAOYSA-N
XLogP1.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62753654) is 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is CN(CC(F)(F)F)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is AVIUJAXHELDQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c1-12(3-7(8,9)10)6-11-2-4(15-6)5(13)14/h2H,3H2,1H3,(H,13,14).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62753654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).