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

C11H8F3N3O2S — CID 82817028

IUPAC5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(Nc2ccc(C(F)(F)F)nc2)nc1C(=O)O
InChIInChI=1S/C11H8F3N3O2S/c1-5-8(9(18)19)17-10(20-5)16-6-2-3-7(15-4-6)11(12,13)14/h2-4H,1H3,(H,16,17)(H,18,19)
InChIKeySDMPZMHKRRMISA-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.31
Rot. Bonds3

About 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid

5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 82817028) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID82817028
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(Nc2ccc(C(F)(F)F)nc2)nc1C(=O)O
InChIInChI=1S/C11H8F3N3O2S/c1-5-8(9(18)19)17-10(20-5)16-6-2-3-7(15-4-6)11(12,13)14/h2-4H,1H3,(H,16,17)(H,18,19)
InChIKeySDMPZMHKRRMISA-UHFFFAOYSA-N
XLogP3.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid (CID 82817028) is 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid is Cc1sc(Nc2ccc(C(F)(F)F)nc2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is SDMPZMHKRRMISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c1-5-8(9(18)19)17-10(20-5)16-6-2-3-7(15-4-6)11(12,13)14/h2-4H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 82817028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).