2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid

C10H10N4O2S — CID 114324451

IUPAC2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid
SMILESCc1nnc(NCc2cc(C(=O)O)ccn2)s1
InChIInChI=1S/C10H10N4O2S/c1-6-13-14-10(17-6)12-5-8-4-7(9(15)16)2-3-11-8/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyYCXAGRBIJKZHHZ-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.55
Rot. Bonds4

About 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid

2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324451) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324451
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid
SMILESCc1nnc(NCc2cc(C(=O)O)ccn2)s1
InChIInChI=1S/C10H10N4O2S/c1-6-13-14-10(17-6)12-5-8-4-7(9(15)16)2-3-11-8/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyYCXAGRBIJKZHHZ-UHFFFAOYSA-N
XLogP1.55
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-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-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325221
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114474614
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324060
2-[[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325098
2-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103400235
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107670890
2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324276
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-[[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]methyl]pyridine-4-carboxylic acid
CID 103385145

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid (CID 114324451) is 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid is Cc1nnc(NCc2cc(C(=O)O)ccn2)s1.
What is the InChIKey of 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is YCXAGRBIJKZHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-13-14-10(17-6)12-5-8-4-7(9(15)16)2-3-11-8/h2-4H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).