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

C10H16N4O2S — CID 65273004

IUPAC2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
SMILESCCc1nsc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C10H16N4O2S/c1-2-8-11-10(17-12-8)14-5-3-13(4-6-14)7-9(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyGMAKWKVLNOJWFY-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.31
Rot. Bonds4

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

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid (PubChem CID 65273004) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
PubChem CID65273004
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
SMILESCCc1nsc(N2CCN(CC(=O)O)CC2)n1
InChIInChI=1S/C10H16N4O2S/c1-2-8-11-10(17-12-8)14-5-3-13(4-6-14)7-9(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyGMAKWKVLNOJWFY-UHFFFAOYSA-N
XLogP0.31
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid (CID 65273004) is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid is CCc1nsc(N2CCN(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
The InChIKey is GMAKWKVLNOJWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-2-8-11-10(17-12-8)14-5-3-13(4-6-14)7-9(15)16/h2-7H2,1H3,(H,15,16).
What are the key properties of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid?
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid has a molecular weight of 256.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 65273004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).