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

C11H15F3N2O2S — CID 62765799

IUPAC4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(CC(F)(F)F)C(C)C)sc1C(=O)O
InChIInChI=1S/C11H15F3N2O2S/c1-4-7-8(9(17)18)19-10(15-7)16(6(2)3)5-11(12,13)14/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyJJPVBDIVUCSKCS-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.18
Rot. Bonds5

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

4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62765799) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62765799
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N(CC(F)(F)F)C(C)C)sc1C(=O)O
InChIInChI=1S/C11H15F3N2O2S/c1-4-7-8(9(17)18)19-10(15-7)16(6(2)3)5-11(12,13)14/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyJJPVBDIVUCSKCS-UHFFFAOYSA-N
XLogP3.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 62765799) is 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is CCc1nc(N(CC(F)(F)F)C(C)C)sc1C(=O)O.
What is the InChIKey of 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is JJPVBDIVUCSKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-4-7-8(9(17)18)19-10(15-7)16(6(2)3)5-11(12,13)14/h6H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid?
4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).