3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid

C10H14N4O3S — CID 43522672

IUPAC3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C10H14N4O3S/c15-9(16)1-2-13-3-5-14(6-4-13)10(17)8-7-11-12-18-8/h7H,1-6H2,(H,15,16)
InChIKeyDYCLTFUYVUQSLL-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.23
Rot. Bonds4

About 3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 43522672) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID43522672
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C10H14N4O3S/c15-9(16)1-2-13-3-5-14(6-4-13)10(17)8-7-11-12-18-8/h7H,1-6H2,(H,15,16)
InChIKeyDYCLTFUYVUQSLL-UHFFFAOYSA-N
XLogP-0.23
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(thiadiazole-5-carbonyl)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

[4-(2-chloroethyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 65215381
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 63657795
3-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 43521993
2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62315838
3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 65206219
3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
3-[4-(2,5-dibromothiophene-3-carbonyl)piperazin-1-yl]propanoic acid
CID 107949003
3-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]propanoic acid
CID 107702412
3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 62787216
2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile
CID 65215302
thiadiazole-5-carboxylic acid;hydrochloride
CID 70551277
3-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 2050673

Frequently Asked Questions

What is the IUPAC name of 3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid (CID 43522672) is 3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)c2cnns2)CC1.
What is the InChIKey of 3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is DYCLTFUYVUQSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c15-9(16)1-2-13-3-5-14(6-4-13)10(17)8-7-11-12-18-8/h7H,1-6H2,(H,15,16).
What are the key properties of 3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 270.31 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).