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

C10H15N3O3S — CID 43209721

IUPAC4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCc1nnsc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-5(2)4-7(10(15)16)11-9(14)8-6(3)12-13-17-8/h5,7H,4H2,1-3H3,(H,11,14)(H,15,16)
InChIKeySLPJOVUKVUUYSM-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.08
Rot. Bonds5

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

4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 43209721) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
PubChem CID43209721
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCc1nnsc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-5(2)4-7(10(15)16)11-9(14)8-6(3)12-13-17-8/h5,7H,4H2,1-3H3,(H,11,14)(H,15,16)
InChIKeySLPJOVUKVUUYSM-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid (CID 43209721) is 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid is Cc1nnsc1C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is SLPJOVUKVUUYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5(2)4-7(10(15)16)11-9(14)8-6(3)12-13-17-8/h5,7H,4H2,1-3H3,(H,11,14)(H,15,16).
What are the key properties of 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid?
4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43209721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).