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

C12H10F3N3O2S — CID 79876202

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1nc(CNc2nc(C(F)(F)F)ccc2C(=O)O)cs1
InChIInChI=1S/C12H10F3N3O2S/c1-6-17-7(5-21-6)4-16-10-8(11(19)20)2-3-9(18-10)12(13,14)15/h2-3,5H,4H2,1H3,(H,16,18)(H,19,20)
InChIKeyLPTPCOKCDVOEEL-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.18
Rot. Bonds4

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

2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876202) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876202
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1nc(CNc2nc(C(F)(F)F)ccc2C(=O)O)cs1
InChIInChI=1S/C12H10F3N3O2S/c1-6-17-7(5-21-6)4-16-10-8(11(19)20)2-3-9(18-10)12(13,14)15/h2-3,5H,4H2,1H3,(H,16,18)(H,19,20)
InChIKeyLPTPCOKCDVOEEL-UHFFFAOYSA-N
XLogP3.18
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Azanyl-1,3-Thiazol-4-Yl)pyridine-4-Carboxylic Acid
CID 96607511
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
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
2-(Propan-2-ylamino)-7-(thiophen-3-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 118745976
2-(2,4-Difluoroanilino)-6-ethylsulfanyl-5-fluoropyridine-3-carboxylic acid
CID 13821770
6-Ethyl-5-[6-(ethylcarbamoylamino)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-yl]pyridine-3-carboxylic acid
CID 67288658
Methyl 2-[(4,4-difluorocyclohexyl)amino]-6-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxylate
CID 139300370
2-(2-Fluoro-4-methylsulfanylanilino)-6-(formamidomethyl)pyridine-3-carboxylic acid
CID 141242439
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-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876202) is 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1nc(CNc2nc(C(F)(F)F)ccc2C(=O)O)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is LPTPCOKCDVOEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-6-17-7(5-21-6)4-16-10-8(11(19)20)2-3-9(18-10)12(13,14)15/h2-3,5H,4H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 317.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).