2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C9H4F3N3O2S — CID 59580006

IUPAC2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ncccn2)nc1C(F)(F)F
InChIInChI=1S/C9H4F3N3O2S/c10-9(11,12)5-4(8(16)17)18-7(15-5)6-13-2-1-3-14-6/h1-3H,(H,16,17)
InChIKeyHLVFKDTUHRQAIJ-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.32
Rot. Bonds2

About 2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 59580006) has the molecular formula C9H4F3N3O2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID59580006
Molecular FormulaC9H4F3N3O2S
Molecular Weight275.21 g/mol
Exact Mass275.00
IUPAC Name2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2ncccn2)nc1C(F)(F)F
InChIInChI=1S/C9H4F3N3O2S/c10-9(11,12)5-4(8(16)17)18-7(15-5)6-13-2-1-3-14-6/h1-3H,(H,16,17)
InChIKeyHLVFKDTUHRQAIJ-UHFFFAOYSA-N
XLogP2.32
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 59580006) is 2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2ncccn2)nc1C(F)(F)F.
What is the InChIKey of 2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HLVFKDTUHRQAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3O2S/c10-9(11,12)5-4(8(16)17)18-7(15-5)6-13-2-1-3-14-6/h1-3H,(H,16,17).
What are the key properties of 2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 275.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 59580006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).