2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid

C8H13N3O2S2 — CID 64710710

IUPAC2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
SMILESCC(CC(C)(N)C(=O)O)Sc1nncs1
InChIInChI=1S/C8H13N3O2S2/c1-5(3-8(2,9)6(12)13)15-7-11-10-4-14-7/h4-5H,3,9H2,1-2H3,(H,12,13)
InChIKeyXBZNBRUZYGSREP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.21
Rot. Bonds5

About 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid

2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid (PubChem CID 64710710) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
PubChem CID64710710
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
SMILESCC(CC(C)(N)C(=O)O)Sc1nncs1
InChIInChI=1S/C8H13N3O2S2/c1-5(3-8(2,9)6(12)13)15-7-11-10-4-14-7/h4-5H,3,9H2,1-2H3,(H,12,13)
InChIKeyXBZNBRUZYGSREP-UHFFFAOYSA-N
XLogP1.21
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)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 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid (CID 64710710) is 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid is CC(CC(C)(N)C(=O)O)Sc1nncs1.
What is the InChIKey of 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The InChIKey is XBZNBRUZYGSREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-5(3-8(2,9)6(12)13)15-7-11-10-4-14-7/h4-5H,3,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid has a molecular weight of 247.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid is sourced from PubChem (CID 64710710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).