6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C10H10F3N3O2S — CID 55010383

IUPAC6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCN(CC(F)(F)F)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C10H10F3N3O2S/c1-2-15(5-10(11,12)13)7-6(8(17)18)16-3-4-19-9(16)14-7/h3-4H,2,5H2,1H3,(H,17,18)
InChIKeyKJRMFCBHLRQVEC-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.48
Rot. Bonds4

About 6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 55010383) has the molecular formula C10H10F3N3O2S and a molecular weight of 293.27 g/mol. Its IUPAC name is 6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID55010383
Molecular FormulaC10H10F3N3O2S
Molecular Weight293.27 g/mol
Exact Mass293.04
IUPAC Name6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCCN(CC(F)(F)F)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C10H10F3N3O2S/c1-2-15(5-10(11,12)13)7-6(8(17)18)16-3-4-19-9(16)14-7/h3-4H,2,5H2,1H3,(H,17,18)
InChIKeyKJRMFCBHLRQVEC-UHFFFAOYSA-N
XLogP2.48
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 55010383) is 6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CCN(CC(F)(F)F)c1nc2sccn2c1C(=O)O.
What is the InChIKey of 6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is KJRMFCBHLRQVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2S/c1-2-15(5-10(11,12)13)7-6(8(17)18)16-3-4-19-9(16)14-7/h3-4H,2,5H2,1H3,(H,17,18).
What are the key properties of 6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 55010383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).