4-(methylaminomethyl)thiadiazole-5-carboxylic acid

C5H7N3O2S — CID 117214295

IUPAC4-(methylaminomethyl)thiadiazole-5-carboxylic acid
SMILESCNCc1nnsc1C(=O)O
InChIInChI=1S/C5H7N3O2S/c1-6-2-3-4(5(9)10)11-8-7-3/h6H,2H2,1H3,(H,9,10)
InChIKeyVRWMWUVJUBNBOS-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.04
Rot. Bonds3

About 4-(methylaminomethyl)thiadiazole-5-carboxylic acid

4-(methylaminomethyl)thiadiazole-5-carboxylic acid (PubChem CID 117214295) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 4-(methylaminomethyl)thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methylaminomethyl)thiadiazole-5-carboxylic acid
PubChem CID117214295
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name4-(methylaminomethyl)thiadiazole-5-carboxylic acid
SMILESCNCc1nnsc1C(=O)O
InChIInChI=1S/C5H7N3O2S/c1-6-2-3-4(5(9)10)11-8-7-3/h6H,2H2,1H3,(H,9,10)
InChIKeyVRWMWUVJUBNBOS-UHFFFAOYSA-N
XLogP-0.04
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(methylaminomethyl)thiadiazole-5-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

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)thiadiazole-5-carboxylic acid?
The IUPAC name of 4-(methylaminomethyl)thiadiazole-5-carboxylic acid (CID 117214295) is 4-(methylaminomethyl)thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methylaminomethyl)thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-(methylaminomethyl)thiadiazole-5-carboxylic acid is CNCc1nnsc1C(=O)O.
What is the InChIKey of 4-(methylaminomethyl)thiadiazole-5-carboxylic acid?
The InChIKey is VRWMWUVJUBNBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-6-2-3-4(5(9)10)11-8-7-3/h6H,2H2,1H3,(H,9,10).
What are the key properties of 4-(methylaminomethyl)thiadiazole-5-carboxylic acid?
4-(methylaminomethyl)thiadiazole-5-carboxylic acid has a molecular weight of 173.20 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)thiadiazole-5-carboxylic acid is sourced from PubChem (CID 117214295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).