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

C12H18N4O2S — CID 65270361

IUPAC2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C12H18N4O2S/c1-8(11(17)18)15-4-6-16(7-5-15)12-13-10(14-19-12)9-2-3-9/h8-9H,2-7H2,1H3,(H,17,18)
InChIKeyCAEWBKLBPICHHL-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.01
Rot. Bonds4

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

2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid (PubChem CID 65270361) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
PubChem CID65270361
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C12H18N4O2S/c1-8(11(17)18)15-4-6-16(7-5-15)12-13-10(14-19-12)9-2-3-9/h8-9H,2-7H2,1H3,(H,17,18)
InChIKeyCAEWBKLBPICHHL-UHFFFAOYSA-N
XLogP1.01
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3-cyclopropyl-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid (CID 65270361) is 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
The InChIKey is CAEWBKLBPICHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8(11(17)18)15-4-6-16(7-5-15)12-13-10(14-19-12)9-2-3-9/h8-9H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid?
2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid has a molecular weight of 282.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65270361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).