2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid

C10H14N4O3S — CID 62315838

IUPAC2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C10H14N4O3S/c1-7(10(16)17)13-2-4-14(5-3-13)9(15)8-6-11-12-18-8/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyJRRJOJGYYMNKED-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.23
Rot. Bonds3

About 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62315838) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62315838
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C10H14N4O3S/c1-7(10(16)17)13-2-4-14(5-3-13)9(15)8-6-11-12-18-8/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyJRRJOJGYYMNKED-UHFFFAOYSA-N
XLogP-0.23
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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

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Related Compounds

(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317076
3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 43522672
2-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107371501
[4-(2-chloroethyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 65215381
2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317957
2-methyl-2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanenitrile
CID 65215302
[4-(hydroxymethyl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 60958313
2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317773
thiadiazole-5-carboxylic acid;hydrochloride
CID 70551277
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]propanoic acid
CID 107971361
2-[4-(1,3-thiazole-5-carbonyl)piperazin-1-yl]propanethioamide
CID 114031108

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid (CID 62315838) is 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)c2cnns2)CC1.
What is the InChIKey of 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is JRRJOJGYYMNKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-7(10(16)17)13-2-4-14(5-3-13)9(15)8-6-11-12-18-8/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 270.31 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62315838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).