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

C8H12N2O2S2 — CID 114993515

IUPAC2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
SMILESCCCC(C)(Sc1nncs1)C(=O)O
InChIInChI=1S/C8H12N2O2S2/c1-3-4-8(2,6(11)12)14-7-10-9-5-13-7/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyZKFSUEKAWCTYSK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.27
Rot. Bonds5

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

2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid (PubChem CID 114993515) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
PubChem CID114993515
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid
SMILESCCCC(C)(Sc1nncs1)C(=O)O
InChIInChI=1S/C8H12N2O2S2/c1-3-4-8(2,6(11)12)14-7-10-9-5-13-7/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyZKFSUEKAWCTYSK-UHFFFAOYSA-N
XLogP2.27
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The IUPAC name of 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid (CID 114993515) is 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid is CCCC(C)(Sc1nncs1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
The InChIKey is ZKFSUEKAWCTYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-3-4-8(2,6(11)12)14-7-10-9-5-13-7/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid?
2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid has a molecular weight of 232.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)pentanoic acid is sourced from PubChem (CID 114993515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).