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

C13H15N3O2S — CID 81244674

IUPAC6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCCc2nc(C)cs2)c(C(=O)O)cn1
InChIInChI=1S/C13H15N3O2S/c1-8-5-11(10(6-15-8)13(17)18)14-4-3-12-16-9(2)7-19-12/h5-7H,3-4H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyGLIKMFMXEIRMIB-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.51
Rot. Bonds5

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

6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 81244674) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID81244674
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCCc2nc(C)cs2)c(C(=O)O)cn1
InChIInChI=1S/C13H15N3O2S/c1-8-5-11(10(6-15-8)13(17)18)14-4-3-12-16-9(2)7-19-12/h5-7H,3-4H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyGLIKMFMXEIRMIB-UHFFFAOYSA-N
XLogP2.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244563
6-methyl-4-(2-pyridin-2-ylethylamino)pyridine-3-carboxylic acid
CID 81233304
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 114009317
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81244415
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82118529
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid (CID 81244674) is 6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid is Cc1cc(NCCc2nc(C)cs2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is GLIKMFMXEIRMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8-5-11(10(6-15-8)13(17)18)14-4-3-12-16-9(2)7-19-12/h5-7H,3-4H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid?
6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).