6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid

C12H10F3N3O2S — CID 122054067

IUPAC6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)8-6-21-10(18-8)4-5-16-9-3-1-2-7(17-9)11(19)20/h1-3,6H,4-5H2,(H,16,17)(H,19,20)
InChIKeyISVNPXCBRVELLA-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.91
Rot. Bonds5

About 6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid

6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid (PubChem CID 122054067) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid
PubChem CID122054067
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)8-6-21-10(18-8)4-5-16-9-3-1-2-7(17-9)11(19)20/h1-3,6H,4-5H2,(H,16,17)(H,19,20)
InChIKeyISVNPXCBRVELLA-UHFFFAOYSA-N
XLogP2.91
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid (CID 122054067) is 6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCCc2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of 6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is ISVNPXCBRVELLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-6-21-10(18-8)4-5-16-9-3-1-2-7(17-9)11(19)20/h1-3,6H,4-5H2,(H,16,17)(H,19,20).
What are the key properties of 6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid?
6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 317.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122054067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).