4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid

C7H9N3O2S — CID 117214277

IUPAC4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1CNC1CC1
InChIInChI=1S/C7H9N3O2S/c11-7(12)6-5(9-10-13-6)3-8-4-1-2-4/h4,8H,1-3H2,(H,11,12)
InChIKeyVBPHYXORLWJJEU-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.49
Rot. Bonds4

About 4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid

4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid (PubChem CID 117214277) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid
PubChem CID117214277
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC Name4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1CNC1CC1
InChIInChI=1S/C7H9N3O2S/c11-7(12)6-5(9-10-13-6)3-8-4-1-2-4/h4,8H,1-3H2,(H,11,12)
InChIKeyVBPHYXORLWJJEU-UHFFFAOYSA-N
XLogP0.49
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(cyclopropylamino)methyl]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

Related Compounds

N-ethylethanamine;4-methylthiadiazole-5-carboxylic acid
CID 177735710
4-[(Cyclobutylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214281
4-[(Cyclopentylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214285
4-(Aminomethyl)thiadiazole-5-carboxylic acid
CID 117214294
4-(Methylaminomethyl)thiadiazole-5-carboxylic acid
CID 117214295
4-[(Dimethylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214296
4-(Pyrrolidin-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214299
4-(Piperidin-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214302
4-(Azepan-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214305
4-(Piperazin-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214311
4-[(4-Methylpiperazin-1-yl)methyl]thiadiazole-5-carboxylic acid
CID 117214315
4-(Ethylaminomethyl)thiadiazole-5-carboxylic acid
CID 117214406

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid?
The IUPAC name of 4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid (CID 117214277) is 4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid is O=C(O)c1snnc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid?
The InChIKey is VBPHYXORLWJJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c11-7(12)6-5(9-10-13-6)3-8-4-1-2-4/h4,8H,1-3H2,(H,11,12).
What are the key properties of 4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid?
4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid has a molecular weight of 199.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]thiadiazole-5-carboxylic acid is sourced from PubChem (CID 117214277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).