2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid

C13H15N3O2S — CID 114129166

IUPAC2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
SMILESCCc1cnc(CNc2nccc(C)c2C(=O)O)s1
InChIInChI=1S/C13H15N3O2S/c1-3-9-6-15-10(19-9)7-16-12-11(13(17)18)8(2)4-5-14-12/h4-6H,3,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyKJVZSWNHXJONQX-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.72
Rot. Bonds5

About 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid

2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid (PubChem CID 114129166) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
PubChem CID114129166
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid
SMILESCCc1cnc(CNc2nccc(C)c2C(=O)O)s1
InChIInChI=1S/C13H15N3O2S/c1-3-9-6-15-10(19-9)7-16-12-11(13(17)18)8(2)4-5-14-12/h4-6H,3,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyKJVZSWNHXJONQX-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-nitropyridin-2-amine
CID 103704528
4-methyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyridine-3-carboxylic acid
CID 106377654
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 103853555
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 106042723
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carboxylic acid
CID 114112447
4-methyl-2-(pyridazin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 106897797
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methylpyridin-2-amine
CID 115735496
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 103780073
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid (CID 114129166) is 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid is CCc1cnc(CNc2nccc(C)c2C(=O)O)s1.
What is the InChIKey of 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid?
The InChIKey is KJVZSWNHXJONQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-9-6-15-10(19-9)7-16-12-11(13(17)18)8(2)4-5-14-12/h4-6H,3,7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid?
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 114129166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).