3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid

C11H16N4O3S — CID 43522111

IUPAC3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESCc1nnsc1C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H16N4O3S/c1-8-10(19-13-12-8)11(18)15-6-4-14(5-7-15)3-2-9(16)17/h2-7H2,1H3,(H,16,17)
InChIKeyJBQZOCCXRVKUTF-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.08
Rot. Bonds4

About 3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 43522111) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID43522111
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESCc1nnsc1C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H16N4O3S/c1-8-10(19-13-12-8)11(18)15-6-4-14(5-7-15)3-2-9(16)17/h2-7H2,1H3,(H,16,17)
InChIKeyJBQZOCCXRVKUTF-UHFFFAOYSA-N
XLogP0.08
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid (CID 43522111) is 3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid is Cc1nnsc1C(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is JBQZOCCXRVKUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-8-10(19-13-12-8)11(18)15-6-4-14(5-7-15)3-2-9(16)17/h2-7H2,1H3,(H,16,17).
What are the key properties of 3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 284.34 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).