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

C12H13N3O2S — CID 62701330

IUPAC6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(C)Cc2cscn2)n1
InChIInChI=1S/C12H13N3O2S/c1-8-3-4-10(12(16)17)11(14-8)15(2)5-9-6-18-7-13-9/h3-4,6-7H,5H2,1-2H3,(H,16,17)
InChIKeyGOTCBYXBXLLODP-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.18
Rot. Bonds4

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

6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid (PubChem CID 62701330) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
PubChem CID62701330
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N(C)Cc2cscn2)n1
InChIInChI=1S/C12H13N3O2S/c1-8-3-4-10(12(16)17)11(14-8)15(2)5-9-6-18-7-13-9/h3-4,6-7H,5H2,1-2H3,(H,16,17)
InChIKeyGOTCBYXBXLLODP-UHFFFAOYSA-N
XLogP2.18
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898
2,3-difluoro-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 107935631
2-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 104500473
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 114406127
6-methyl-2-[methyl(propyl)amino]pyridine-3-carboxylic acid
CID 62701479
2-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-oxoethyl]benzoic acid
CID 115923742
2-fluoro-6-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 79522285
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392979
2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 63824354
4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 91268064
2-fluoro-4-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]benzoic acid
CID 107796209

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid (CID 62701330) is 6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N(C)Cc2cscn2)n1.
What is the InChIKey of 6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is GOTCBYXBXLLODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-3-4-10(12(16)17)11(14-8)15(2)5-9-6-18-7-13-9/h3-4,6-7H,5H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid?
6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62701330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).