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

C11H7F3N2O2S — CID 57018296

IUPAC2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(-c2ncc(C(=O)O)s2)ncc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2S/c1-5-2-7(15-3-6(5)11(12,13)14)9-16-4-8(19-9)10(17)18/h2-4H,1H3,(H,17,18)
InChIKeyCVAUYHHOWXZMMF-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.23
Rot. Bonds2

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

2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 57018296) has the molecular formula C11H7F3N2O2S and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
PubChem CID57018296
Molecular FormulaC11H7F3N2O2S
Molecular Weight288.25 g/mol
Exact Mass288.02
IUPAC Name2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1cc(-c2ncc(C(=O)O)s2)ncc1C(F)(F)F
InChIInChI=1S/C11H7F3N2O2S/c1-5-2-7(15-3-6(5)11(12,13)14)9-16-4-8(19-9)10(17)18/h2-4H,1H3,(H,17,18)
InChIKeyCVAUYHHOWXZMMF-UHFFFAOYSA-N
XLogP3.23
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid (CID 57018296) is 2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid is Cc1cc(-c2ncc(C(=O)O)s2)ncc1C(F)(F)F.
What is the InChIKey of 2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is CVAUYHHOWXZMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2S/c1-5-2-7(15-3-6(5)11(12,13)14)9-16-4-8(19-9)10(17)18/h2-4H,1H3,(H,17,18).
What are the key properties of 2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid?
2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 288.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 57018296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).