4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde

C9H11N3O2S — CID 110695914

IUPAC4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2nccs2)CC1
InChIInChI=1S/C9H11N3O2S/c13-7-11-2-4-12(5-3-11)9(14)8-10-1-6-15-8/h1,6-7H,2-5H2
InChIKeyHJZBMKOLBOSHTL-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.06
Rot. Bonds2

About 4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde

4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde (PubChem CID 110695914) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde
PubChem CID110695914
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2nccs2)CC1
InChIInChI=1S/C9H11N3O2S/c13-7-11-2-4-12(5-3-11)9(14)8-10-1-6-15-8/h1,6-7H,2-5H2
InChIKeyHJZBMKOLBOSHTL-UHFFFAOYSA-N
XLogP0.06
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde (CID 110695914) is 4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2nccs2)CC1.
What is the InChIKey of 4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is HJZBMKOLBOSHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-7-11-2-4-12(5-3-11)9(14)8-10-1-6-15-8/h1,6-7H,2-5H2.
What are the key properties of 4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde?
4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 225.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazole-2-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110695914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).