2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid

C10H15N3O3S — CID 43619095

IUPAC2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1snnc1C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-4-5-10(3,9(15)16)11-8(14)7-6(2)12-13-17-7/h4-5H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyFNNNTEYIJFMLIR-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.22
Rot. Bonds5

About 2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid

2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 43619095) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
PubChem CID43619095
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)c1snnc1C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-4-5-10(3,9(15)16)11-8(14)7-6(2)12-13-17-7/h4-5H2,1-3H3,(H,11,14)(H,15,16)
InChIKeyFNNNTEYIJFMLIR-UHFFFAOYSA-N
XLogP1.22
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid (CID 43619095) is 2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid is CCCC(C)(NC(=O)c1snnc1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is FNNNTEYIJFMLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-4-5-10(3,9(15)16)11-8(14)7-6(2)12-13-17-7/h4-5H2,1-3H3,(H,11,14)(H,15,16).
What are the key properties of 2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43619095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).