2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C11H8F3N3O2S — CID 66380507

IUPAC2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNc2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)7-2-1-3-8(17-7)15-4-9-16-6(5-20-9)10(18)19/h1-3,5H,4H2,(H,15,17)(H,18,19)
InChIKeyUQAOIIXGRQCNRO-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.87
Rot. Bonds4

About 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66380507) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66380507
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNc2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H8F3N3O2S/c12-11(13,14)7-2-1-3-8(17-7)15-4-9-16-6(5-20-9)10(18)19/h1-3,5H,4H2,(H,15,17)(H,18,19)
InChIKeyUQAOIIXGRQCNRO-UHFFFAOYSA-N
XLogP2.87
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66380507) is 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CNc2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UQAOIIXGRQCNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c12-11(13,14)7-2-1-3-8(17-7)15-4-9-16-6(5-20-9)10(18)19/h1-3,5H,4H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66380507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).