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

C10H16N4O2S — CID 65267717

IUPAC3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
SMILESCc1nsc(N2CCN(CCC(=O)O)CC2)n1
InChIInChI=1S/C10H16N4O2S/c1-8-11-10(17-12-8)14-6-4-13(5-7-14)3-2-9(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyKKSXUTHJGYOWKG-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.44
Rot. Bonds4

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

3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid (PubChem CID 65267717) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
PubChem CID65267717
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
SMILESCc1nsc(N2CCN(CCC(=O)O)CC2)n1
InChIInChI=1S/C10H16N4O2S/c1-8-11-10(17-12-8)14-6-4-13(5-7-14)3-2-9(15)16/h2-7H2,1H3,(H,15,16)
InChIKeyKKSXUTHJGYOWKG-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-Methylpiperazin-1-yl)-[1,2,4]thiadiazol-3-yl]propan-2-one
CID 155818948
3-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanoic acid
CID 107304272
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304289
Methyl 3-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanoate
CID 107305886
Methyl 4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanoate
CID 71863124
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
CID 65267716
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
CID 65267718
3-[Cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65267836
3-[Ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 65267840
3-[(3-Methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]propanoic acid
CID 65267895
3-[Ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65267897
3-[Methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65268010

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid (CID 65267717) is 3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid is Cc1nsc(N2CCN(CCC(=O)O)CC2)n1.
What is the InChIKey of 3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
The InChIKey is KKSXUTHJGYOWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-8-11-10(17-12-8)14-6-4-13(5-7-14)3-2-9(15)16/h2-7H2,1H3,(H,15,16).
What are the key properties of 3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
3-[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, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65267717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).