4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid

C10H15N3O3S — CID 62032093

IUPAC4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid
SMILESCCc1nnsc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-3-7-9(17-12-11-7)10(16)13(2)6-4-5-8(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyAQLMYTIERVLENT-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.04
Rot. Bonds6

About 4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid

4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid (PubChem CID 62032093) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid
PubChem CID62032093
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid
SMILESCCc1nnsc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H15N3O3S/c1-3-7-9(17-12-11-7)10(16)13(2)6-4-5-8(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeyAQLMYTIERVLENT-UHFFFAOYSA-N
XLogP1.04
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic 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-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid (CID 62032093) is 4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid is CCc1nnsc1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid?
The InChIKey is AQLMYTIERVLENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-3-7-9(17-12-11-7)10(16)13(2)6-4-5-8(14)15/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid?
4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylthiadiazole-5-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 62032093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).