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

C12H10F3N3O2S — CID 122048891

IUPAC6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid
SMILESCN(Cc1nc(C(F)(F)F)cs1)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H10F3N3O2S/c1-18(9-4-2-3-7(16-9)11(19)20)5-10-17-8(6-21-10)12(13,14)15/h2-4,6H,5H2,1H3,(H,19,20)
InChIKeyOQMPIICETDGSQA-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.89
Rot. Bonds4

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

6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid (PubChem CID 122048891) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid
PubChem CID122048891
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid
SMILESCN(Cc1nc(C(F)(F)F)cs1)c1cccc(C(=O)O)n1
InChIInChI=1S/C12H10F3N3O2S/c1-18(9-4-2-3-7(16-9)11(19)20)5-10-17-8(6-21-10)12(13,14)15/h2-4,6H,5H2,1H3,(H,19,20)
InChIKeyOQMPIICETDGSQA-UHFFFAOYSA-N
XLogP2.89
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-{[4-(Carboxymethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)thio]-2-pyridinecarboxylic acid
CID 2729306
6-(2-Methyl-1,3-thiazol-4-yl)pyridine-2-carboxylic acid
CID 44307561
6-({Methyl[2-(4-methyl-1,3-thiazol-5-YL)ethyl]amino}methyl)pyridine-2-carboxylic acid
CID 122569179
2-[1-[[6-(Trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372789
2-[2-[[6-(Trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375107
2-[[[6-(Trifluoromethyl)-2-pyridinyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380507
4-[[1-(Difluoromethyl)imidazol-2-yl]methylsulfanyl]pyridine-2-carboxylic acid
CID 79554211
2-[(4-Methyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876196
2-[(2-Methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876202
2-[Methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876372
5-Methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]amino]-1,3-thiazole-4-carboxylic acid
CID 82817028
6-[2-(Trifluoromethylsulfanyl)ethylamino]pyridine-2-carboxylic acid
CID 106429565

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid (CID 122048891) is 6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid is CN(Cc1nc(C(F)(F)F)cs1)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid?
The InChIKey is OQMPIICETDGSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-18(9-4-2-3-7(16-9)11(19)20)5-10-17-8(6-21-10)12(13,14)15/h2-4,6H,5H2,1H3,(H,19,20).
What are the key properties of 6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid?
6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid has a molecular weight of 317.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122048891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).