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

C12H17F3N2O2S — CID 62765972

IUPAC4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC(F)(F)F)c1nc(C(C)(C)C)c(C(=O)O)s1
InChIInChI=1S/C12H17F3N2O2S/c1-5-17(6-12(13,14)15)10-16-8(11(2,3)4)7(20-10)9(18)19/h5-6H2,1-4H3,(H,18,19)
InChIKeyUBSBNUBCUILJCA-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.53
Rot. Bonds4

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

4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62765972) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62765972
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC(F)(F)F)c1nc(C(C)(C)C)c(C(=O)O)s1
InChIInChI=1S/C12H17F3N2O2S/c1-5-17(6-12(13,14)15)10-16-8(11(2,3)4)7(20-10)9(18)19/h5-6H2,1-4H3,(H,18,19)
InChIKeyUBSBNUBCUILJCA-UHFFFAOYSA-N
XLogP3.53
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-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 4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62765972) is 4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is CCN(CC(F)(F)F)c1nc(C(C)(C)C)c(C(=O)O)s1.
What is the InChIKey of 4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is UBSBNUBCUILJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-5-17(6-12(13,14)15)10-16-8(11(2,3)4)7(20-10)9(18)19/h5-6H2,1-4H3,(H,18,19).
What are the key properties of 4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 310.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).