4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid

C11H7F3N2O3S — CID 63279534

IUPAC4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1
InChIInChI=1S/C11H7F3N2O3S/c12-11(13,14)6-1-2-8(17)16(3-6)4-7-5-20-9(15-7)10(18)19/h1-3,5H,4H2,(H,18,19)
InChIKeyOVBLSZPKYFINCI-UHFFFAOYSA-N
MW304.25 g/mol
LogP2.07
Rot. Bonds3

About 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid

4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 63279534) has the molecular formula C11H7F3N2O3S and a molecular weight of 304.25 g/mol. Its IUPAC name is 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID63279534
Molecular FormulaC11H7F3N2O3S
Molecular Weight304.25 g/mol
Exact Mass304.01
IUPAC Name4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1
InChIInChI=1S/C11H7F3N2O3S/c12-11(13,14)6-1-2-8(17)16(3-6)4-7-5-20-9(15-7)10(18)19/h1-3,5H,4H2,(H,18,19)
InChIKeyOVBLSZPKYFINCI-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid (CID 63279534) is 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1.
What is the InChIKey of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is OVBLSZPKYFINCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3S/c12-11(13,14)6-1-2-8(17)16(3-6)4-7-5-20-9(15-7)10(18)19/h1-3,5H,4H2,(H,18,19).
What are the key properties of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid?
4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 304.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 63279534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).