2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

C11H15F3N2O2S — CID 62766143

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(CC)CC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C11H15F3N2O2S/c1-3-5-7-8(9(17)18)19-10(15-7)16(4-2)6-11(12,13)14/h3-6H2,1-2H3,(H,17,18)
InChIKeyKRIGDIMALMBXKO-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.18
Rot. Bonds6

About 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid

2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62766143) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID62766143
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(CC)CC(F)(F)F)sc1C(=O)O
InChIInChI=1S/C11H15F3N2O2S/c1-3-5-7-8(9(17)18)19-10(15-7)16(4-2)6-11(12,13)14/h3-6H2,1-2H3,(H,17,18)
InChIKeyKRIGDIMALMBXKO-UHFFFAOYSA-N
XLogP3.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 62766143) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N(CC)CC(F)(F)F)sc1C(=O)O.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is KRIGDIMALMBXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-3-5-7-8(9(17)18)19-10(15-7)16(4-2)6-11(12,13)14/h3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62766143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).