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

C12H10F3N3O2S — CID 79876372

IUPAC2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCN(Cc1cscn1)c1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C12H10F3N3O2S/c1-18(4-7-5-21-6-16-7)10-8(11(19)20)2-3-9(17-10)12(13,14)15/h2-3,5-6H,4H2,1H3,(H,19,20)
InChIKeyRGIUFVBKHOBLBT-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.89
Rot. Bonds4

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

2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876372) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876372
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCN(Cc1cscn1)c1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C12H10F3N3O2S/c1-18(4-7-5-21-6-16-7)10-8(11(19)20)2-3-9(17-10)12(13,14)15/h2-3,5-6H,4H2,1H3,(H,19,20)
InChIKeyRGIUFVBKHOBLBT-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

2-(2-Azanyl-1,3-Thiazol-4-Yl)pyridine-4-Carboxylic Acid
CID 96607511
2-(2-Benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
CID 127031758
Benzoic acid, 4-[[4-(2-pyridinyl)-2-thiazolyl]amino]-
CID 704429
5-Bromo-6-isocyanato-3-methyl-1-[(4-methylphenyl)sulfonyl]-1h-indazole
CID 134147900
2-(Dimethylamino)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid
CID 97389792
Propan-2-yl 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridine-3-carboxylate
CID 75478038
2-(Dimethylamino)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 118745974
4-Methyl-2-(2-oxo-3-((6-(trifluoromethyl)pyridin-3-yl)methyl)imidazolidin-1-yl)thiazole-5-carboxylic acid
CID 66661611
3-Propan-2-ylsulfanyl-5-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 140288573
5-[6-(Carbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3-pyridinyl]-6-ethylpyridine-3-carboxylic acid
CID 143854996
Tert-butyl 6-[[4-(1,1-difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate
CID 144984058
6-[[4-(1,1-Difluoro-2-hydroxyethyl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylic acid
CID 144984180

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876372) is 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is CN(Cc1cscn1)c1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is RGIUFVBKHOBLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-18(4-7-5-21-6-16-7)10-8(11(19)20)2-3-9(17-10)12(13,14)15/h2-3,5-6H,4H2,1H3,(H,19,20).
What are the key properties of 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-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 2-[methyl(1,3-thiazol-4-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).