2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid

C11H18N4O2S — CID 65272945

IUPAC2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
SMILESCCCc1nsc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-2-3-9-12-11(18-13-9)15-6-4-14(5-7-15)8-10(16)17/h2-8H2,1H3,(H,16,17)
InChIKeyLVXWMAUHWKZWSG-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.70
Rot. Bonds5

About 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid

2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid (PubChem CID 65272945) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
PubChem CID65272945
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
SMILESCCCc1nsc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-2-3-9-12-11(18-13-9)15-6-4-14(5-7-15)8-10(16)17/h2-8H2,1H3,(H,16,17)
InChIKeyLVXWMAUHWKZWSG-UHFFFAOYSA-N
XLogP0.70
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid (CID 65272945) is 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid is CCCc1nsc(N2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The InChIKey is LVXWMAUHWKZWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-3-9-12-11(18-13-9)15-6-4-14(5-7-15)8-10(16)17/h2-8H2,1H3,(H,16,17).
What are the key properties of 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid has a molecular weight of 270.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 65272945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).