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

C11H12N4O2S — CID 114406127

IUPAC5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
SMILESCN(Cc1cscn1)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C11H12N4O2S/c1-15(4-7-5-18-6-13-7)10-8(12)2-3-9(14-10)11(16)17/h2-3,5-6H,4,12H2,1H3,(H,16,17)
InChIKeyWZJSDWNXXQLDOL-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.45
Rot. Bonds4

About 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid

5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid (PubChem CID 114406127) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
PubChem CID114406127
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
SMILESCN(Cc1cscn1)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C11H12N4O2S/c1-15(4-7-5-18-6-13-7)10-8(12)2-3-9(14-10)11(16)17/h2-3,5-6H,4,12H2,1H3,(H,16,17)
InChIKeyWZJSDWNXXQLDOL-UHFFFAOYSA-N
XLogP1.45
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 104500473
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898
6-methyl-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62701330
5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 114405667
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
CID 107203250
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)quinazoline-2,4-diamine
CID 80814608
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 55013899
5-amino-6-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 114407703
3-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzamide
CID 112578626
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
5-amino-6-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 114405125

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid (CID 114406127) is 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid is CN(Cc1cscn1)c1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is WZJSDWNXXQLDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-15(4-7-5-18-6-13-7)10-8(12)2-3-9(14-10)11(16)17/h2-3,5-6H,4,12H2,1H3,(H,16,17).
What are the key properties of 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid?
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114406127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).