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

C9H15N3O2S — CID 65209531

IUPAC4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
SMILESCc1nnc(NC(CC(C)C)C(=O)O)s1
InChIInChI=1S/C9H15N3O2S/c1-5(2)4-7(8(13)14)10-9-12-11-6(3)15-9/h5,7H,4H2,1-3H3,(H,10,12)(H,13,14)
InChIKeyMOQNXQPBTKWYMU-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.76
Rot. Bonds5

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

4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid (PubChem CID 65209531) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
PubChem CID65209531
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
SMILESCc1nnc(NC(CC(C)C)C(=O)O)s1
InChIInChI=1S/C9H15N3O2S/c1-5(2)4-7(8(13)14)10-9-12-11-6(3)15-9/h5,7H,4H2,1-3H3,(H,10,12)(H,13,14)
InChIKeyMOQNXQPBTKWYMU-UHFFFAOYSA-N
XLogP1.76
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic 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-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid (CID 65209531) is 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid is Cc1nnc(NC(CC(C)C)C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
The InChIKey is MOQNXQPBTKWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(2)4-7(8(13)14)10-9-12-11-6(3)15-9/h5,7H,4H2,1-3H3,(H,10,12)(H,13,14).
What are the key properties of 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid?
4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid has a molecular weight of 229.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 65209531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).