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

C9H12N4O3S — CID 43522671

IUPAC2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C9H12N4O3S/c14-8(15)6-12-1-3-13(4-2-12)9(16)7-5-10-11-17-7/h5H,1-4,6H2,(H,14,15)
InChIKeyAIGXPASFWXJJFB-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.62
Rot. Bonds3

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

2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid (PubChem CID 43522671) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid
PubChem CID43522671
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C9H12N4O3S/c14-8(15)6-12-1-3-13(4-2-12)9(16)7-5-10-11-17-7/h5H,1-4,6H2,(H,14,15)
InChIKeyAIGXPASFWXJJFB-UHFFFAOYSA-N
XLogP-0.62
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid (CID 43522671) is 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)c2cnns2)CC1.
What is the InChIKey of 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid?
The InChIKey is AIGXPASFWXJJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c14-8(15)6-12-1-3-13(4-2-12)9(16)7-5-10-11-17-7/h5H,1-4,6H2,(H,14,15).
What are the key properties of 2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid?
2-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]acetic acid has a molecular weight of 256.29 g/mol, XLogP of -0.62, 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]acetic acid is sourced from PubChem (CID 43522671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).