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

C13H15N3O2S — CID 81244022

IUPAC6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
SMILESCCC(Nc1cc(C)ncc1C(=O)O)c1nccs1
InChIInChI=1S/C13H15N3O2S/c1-3-10(12-14-4-5-19-12)16-11-6-8(2)15-7-9(11)13(17)18/h4-7,10H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCVJQFWNUSFDVKQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.11
Rot. Bonds5

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

6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid (PubChem CID 81244022) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
PubChem CID81244022
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
SMILESCCC(Nc1cc(C)ncc1C(=O)O)c1nccs1
InChIInChI=1S/C13H15N3O2S/c1-3-10(12-14-4-5-19-12)16-11-6-8(2)15-7-9(11)13(17)18/h4-7,10H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCVJQFWNUSFDVKQ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 81282204
2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid
CID 80572399
2-fluoro-6-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 79511867
5-amino-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 81439783
2-amino-3-fluoro-6-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 83207195
methyl (E)-3-[1-(1,3-thiazol-2-yl)propylamino]prop-2-enoate
CID 103253931
4-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 106345794
4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 81243462
4-[(3-ethylthiophen-2-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81244415
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid (CID 81244022) is 6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid is CCC(Nc1cc(C)ncc1C(=O)O)c1nccs1.
What is the InChIKey of 6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
The InChIKey is CVJQFWNUSFDVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-3-10(12-14-4-5-19-12)16-11-6-8(2)15-7-9(11)13(17)18/h4-7,10H,3H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid?
6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[1-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).