2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid

C10H16N4O2S — CID 65267718

IUPAC2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
SMILESCc1nsc(N2CCN(C(C)C(=O)O)CC2)n1
InChIInChI=1S/C10H16N4O2S/c1-7(9(15)16)13-3-5-14(6-4-13)10-11-8(2)12-17-10/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyMALWZRCLKLNBIS-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.44
Rot. Bonds3

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

2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid (PubChem CID 65267718) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
PubChem CID65267718
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
SMILESCc1nsc(N2CCN(C(C)C(=O)O)CC2)n1
InChIInChI=1S/C10H16N4O2S/c1-7(9(15)16)13-3-5-14(6-4-13)10-11-8(2)12-17-10/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyMALWZRCLKLNBIS-UHFFFAOYSA-N
XLogP0.44
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid (CID 65267718) is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid is Cc1nsc(N2CCN(C(C)C(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
The InChIKey is MALWZRCLKLNBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-7(9(15)16)13-3-5-14(6-4-13)10-11-8(2)12-17-10/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid has a molecular weight of 256.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65267718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).