6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid

C10H15N3O3S — CID 28776981

IUPAC6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid
SMILESCc1nnsc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-7-9(17-13-12-7)10(16)11-6-4-2-3-5-8(14)15/h2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyUUYSZTVKBRMZIF-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.22
Rot. Bonds7

About 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid

6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid (PubChem CID 28776981) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid
PubChem CID28776981
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid
SMILESCc1nnsc1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-7-9(17-13-12-7)10(16)11-6-4-2-3-5-8(14)15/h2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyUUYSZTVKBRMZIF-UHFFFAOYSA-N
XLogP1.22
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic 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 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid (CID 28776981) is 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid is Cc1nnsc1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is UUYSZTVKBRMZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7-9(17-13-12-7)10(16)11-6-4-2-3-5-8(14)15/h2-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid?
6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylthiadiazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 28776981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).